Found 54 hits with Last Name = 'forsman' and Initial = 'h' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238903
(CHEMBL4077102)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:89.90,47.48,61.62,33.34,wD:75.76,19.20,(19.68,-19.15,;18.37,-18.39,;17.04,-19.16,;17.04,-20.7,;18.37,-21.47,;15.69,-18.39,;15.68,-16.86,;14.35,-16.1,;13.03,-16.87,;11.69,-16.1,;11.69,-14.05,;10.34,-13.29,;10.34,-11.75,;11.67,-10.96,;13,-11.74,;13,-13.27,;14.33,-14.05,;14.33,-15.6,;15.69,-13.27,;17.04,-14.05,;17.04,-15.6,;18.36,-16.37,;18.36,-17.9,;19.69,-18.67,;21.02,-17.9,;18.38,-13.27,;18.38,-11.7,;19.71,-14.05,;19.72,-15.58,;21.06,-16.34,;22.38,-15.57,;22.39,-14.03,;23.72,-16.34,;25.04,-15.57,;25.04,-14.02,;26.38,-13.24,;26.37,-11.7,;27.7,-10.93,;27.7,-9.4,;26.38,-16.33,;26.39,-17.87,;27.71,-15.56,;29.04,-16.33,;29.05,-17.86,;30.39,-18.62,;31.72,-17.85,;30.39,-20.16,;31.72,-20.93,;33.05,-20.16,;34.38,-20.92,;35.72,-20.15,;37.05,-20.92,;38.37,-20.14,;31.73,-22.46,;30.4,-23.24,;33.06,-23.23,;33.06,-24.77,;31.73,-25.54,;31.74,-27.08,;33.07,-27.84,;30.41,-27.85,;30.41,-29.39,;31.75,-30.16,;31.75,-31.7,;33.09,-32.47,;34.42,-31.7,;35.76,-32.46,;29.08,-30.17,;27.74,-29.4,;29.08,-31.71,;30.42,-32.48,;30.43,-34.02,;29.09,-34.79,;27.75,-34.02,;29.09,-36.33,;27.76,-37.11,;26.42,-36.34,;25.08,-37.11,;23.75,-36.35,;22.42,-37.12,;21.08,-36.35,;27.76,-38.65,;29.1,-39.42,;26.43,-39.42,;26.43,-40.97,;25.1,-41.74,;25.1,-43.28,;26.44,-44.05,;23.77,-44.06,;23.77,-45.6,;25.11,-46.36,;25.11,-47.91,;26.45,-48.67,;27.78,-47.9,;29.12,-48.67,;22.44,-46.37,;21.11,-45.6,;22.44,-47.91,;23.78,-48.68,;23.78,-50.22,;25.12,-50.99,;25.12,-52.53,;26.46,-50.22,;21.11,-48.69,;19.77,-47.92,;19.77,-46.38,;18.44,-45.61,;17.11,-46.38,;15.77,-45.62,;17.11,-47.93,;18.45,-48.69,;25.09,-38.66,;23.76,-39.43,;22.42,-38.66,;21.09,-39.43,;21.09,-40.97,;19.76,-41.75,;22.44,-41.74,;23.76,-40.96,;27.75,-32.48,;26.41,-31.72,;26.42,-30.17,;25.08,-29.41,;23.74,-30.18,;22.4,-29.41,;23.75,-31.73,;25.09,-32.49,;34.39,-22.46,;35.72,-23.22,;35.72,-24.76,;37.06,-25.53,;38.39,-24.76,;39.73,-25.52,;38.37,-23.21,;37.05,-22.45,;27.71,-14.02,;29.04,-13.24,;29.03,-11.7,;30.35,-10.93,;31.7,-11.7,;33.03,-10.92,;31.7,-13.24,;30.37,-14.02,;21.05,-13.27,;21.05,-11.72,;19.71,-10.98,;19.7,-9.44,;21.04,-8.65,;21.04,-7.11,;22.38,-9.43,;22.38,-10.96,;10.36,-16.89,;9.03,-16.13,;7.71,-16.91,;7.73,-18.45,;9.04,-19.2,;10.37,-18.43,;11.72,-19.19,;13.04,-18.41,;14.37,-19.17,;6.39,-19.21,;6.39,-20.75,;5.04,-21.52,;5.04,-18.45,;3.7,-19.21,)| Show InChI InChI=1S/C124H163F6N21O14/c1-5-144(6-2)97-55-57-101-109(77-97)165-110-78-98(145(7-3)8-4)56-58-102(110)117(101)99-23-9-10-24-100(99)118(158)143-108(30-16-22-70-136)124(164)151(84-90-41-53-96(130)54-42-90)76-64-116(157)142-107(29-15-21-69-135)123(163)150(83-89-39-51-95(129)52-40-89)75-63-115(156)141-106(28-14-20-68-134)122(162)149(82-88-37-49-94(128)50-38-88)74-62-114(155)140-105(27-13-19-67-133)121(161)148(81-87-35-47-93(127)48-36-87)73-61-113(154)139-104(26-12-18-66-132)120(160)147(80-86-33-45-92(126)46-34-86)72-60-112(153)138-103(25-11-17-65-131)119(159)146(71-59-111(137)152)79-85-31-43-91(125)44-32-85/h9-10,23-24,31-58,77-78,103-108H,5-8,11-22,25-30,59-76,79-84,131-136H2,1-4H3,(H7-,137,138,139,140,141,142,143,152,153,154,155,156,157,158)/p+1/t103-,104-,105-,106-,107-,108-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238903
(CHEMBL4077102)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:89.90,47.48,61.62,33.34,wD:75.76,19.20,(19.68,-19.15,;18.37,-18.39,;17.04,-19.16,;17.04,-20.7,;18.37,-21.47,;15.69,-18.39,;15.68,-16.86,;14.35,-16.1,;13.03,-16.87,;11.69,-16.1,;11.69,-14.05,;10.34,-13.29,;10.34,-11.75,;11.67,-10.96,;13,-11.74,;13,-13.27,;14.33,-14.05,;14.33,-15.6,;15.69,-13.27,;17.04,-14.05,;17.04,-15.6,;18.36,-16.37,;18.36,-17.9,;19.69,-18.67,;21.02,-17.9,;18.38,-13.27,;18.38,-11.7,;19.71,-14.05,;19.72,-15.58,;21.06,-16.34,;22.38,-15.57,;22.39,-14.03,;23.72,-16.34,;25.04,-15.57,;25.04,-14.02,;26.38,-13.24,;26.37,-11.7,;27.7,-10.93,;27.7,-9.4,;26.38,-16.33,;26.39,-17.87,;27.71,-15.56,;29.04,-16.33,;29.05,-17.86,;30.39,-18.62,;31.72,-17.85,;30.39,-20.16,;31.72,-20.93,;33.05,-20.16,;34.38,-20.92,;35.72,-20.15,;37.05,-20.92,;38.37,-20.14,;31.73,-22.46,;30.4,-23.24,;33.06,-23.23,;33.06,-24.77,;31.73,-25.54,;31.74,-27.08,;33.07,-27.84,;30.41,-27.85,;30.41,-29.39,;31.75,-30.16,;31.75,-31.7,;33.09,-32.47,;34.42,-31.7,;35.76,-32.46,;29.08,-30.17,;27.74,-29.4,;29.08,-31.71,;30.42,-32.48,;30.43,-34.02,;29.09,-34.79,;27.75,-34.02,;29.09,-36.33,;27.76,-37.11,;26.42,-36.34,;25.08,-37.11,;23.75,-36.35,;22.42,-37.12,;21.08,-36.35,;27.76,-38.65,;29.1,-39.42,;26.43,-39.42,;26.43,-40.97,;25.1,-41.74,;25.1,-43.28,;26.44,-44.05,;23.77,-44.06,;23.77,-45.6,;25.11,-46.36,;25.11,-47.91,;26.45,-48.67,;27.78,-47.9,;29.12,-48.67,;22.44,-46.37,;21.11,-45.6,;22.44,-47.91,;23.78,-48.68,;23.78,-50.22,;25.12,-50.99,;25.12,-52.53,;26.46,-50.22,;21.11,-48.69,;19.77,-47.92,;19.77,-46.38,;18.44,-45.61,;17.11,-46.38,;15.77,-45.62,;17.11,-47.93,;18.45,-48.69,;25.09,-38.66,;23.76,-39.43,;22.42,-38.66,;21.09,-39.43,;21.09,-40.97,;19.76,-41.75,;22.44,-41.74,;23.76,-40.96,;27.75,-32.48,;26.41,-31.72,;26.42,-30.17,;25.08,-29.41,;23.74,-30.18,;22.4,-29.41,;23.75,-31.73,;25.09,-32.49,;34.39,-22.46,;35.72,-23.22,;35.72,-24.76,;37.06,-25.53,;38.39,-24.76,;39.73,-25.52,;38.37,-23.21,;37.05,-22.45,;27.71,-14.02,;29.04,-13.24,;29.03,-11.7,;30.35,-10.93,;31.7,-11.7,;33.03,-10.92,;31.7,-13.24,;30.37,-14.02,;21.05,-13.27,;21.05,-11.72,;19.71,-10.98,;19.7,-9.44,;21.04,-8.65,;21.04,-7.11,;22.38,-9.43,;22.38,-10.96,;10.36,-16.89,;9.03,-16.13,;7.71,-16.91,;7.73,-18.45,;9.04,-19.2,;10.37,-18.43,;11.72,-19.19,;13.04,-18.41,;14.37,-19.17,;6.39,-19.21,;6.39,-20.75,;5.04,-21.52,;5.04,-18.45,;3.7,-19.21,)| Show InChI InChI=1S/C124H163F6N21O14/c1-5-144(6-2)97-55-57-101-109(77-97)165-110-78-98(145(7-3)8-4)56-58-102(110)117(101)99-23-9-10-24-100(99)118(158)143-108(30-16-22-70-136)124(164)151(84-90-41-53-96(130)54-42-90)76-64-116(157)142-107(29-15-21-69-135)123(163)150(83-89-39-51-95(129)52-40-89)75-63-115(156)141-106(28-14-20-68-134)122(162)149(82-88-37-49-94(128)50-38-88)74-62-114(155)140-105(27-13-19-67-133)121(161)148(81-87-35-47-93(127)48-36-87)73-61-113(154)139-104(26-12-18-66-132)120(160)147(80-86-33-45-92(126)46-34-86)72-60-112(153)138-103(25-11-17-65-131)119(159)146(71-59-111(137)152)79-85-31-43-91(125)44-32-85/h9-10,23-24,31-58,77-78,103-108H,5-8,11-22,25-30,59-76,79-84,131-136H2,1-4H3,(H7-,137,138,139,140,141,142,143,152,153,154,155,156,157,158)/p+1/t103-,104-,105-,106-,107-,108-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238903
(CHEMBL4077102)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:89.90,47.48,61.62,33.34,wD:75.76,19.20,(19.68,-19.15,;18.37,-18.39,;17.04,-19.16,;17.04,-20.7,;18.37,-21.47,;15.69,-18.39,;15.68,-16.86,;14.35,-16.1,;13.03,-16.87,;11.69,-16.1,;11.69,-14.05,;10.34,-13.29,;10.34,-11.75,;11.67,-10.96,;13,-11.74,;13,-13.27,;14.33,-14.05,;14.33,-15.6,;15.69,-13.27,;17.04,-14.05,;17.04,-15.6,;18.36,-16.37,;18.36,-17.9,;19.69,-18.67,;21.02,-17.9,;18.38,-13.27,;18.38,-11.7,;19.71,-14.05,;19.72,-15.58,;21.06,-16.34,;22.38,-15.57,;22.39,-14.03,;23.72,-16.34,;25.04,-15.57,;25.04,-14.02,;26.38,-13.24,;26.37,-11.7,;27.7,-10.93,;27.7,-9.4,;26.38,-16.33,;26.39,-17.87,;27.71,-15.56,;29.04,-16.33,;29.05,-17.86,;30.39,-18.62,;31.72,-17.85,;30.39,-20.16,;31.72,-20.93,;33.05,-20.16,;34.38,-20.92,;35.72,-20.15,;37.05,-20.92,;38.37,-20.14,;31.73,-22.46,;30.4,-23.24,;33.06,-23.23,;33.06,-24.77,;31.73,-25.54,;31.74,-27.08,;33.07,-27.84,;30.41,-27.85,;30.41,-29.39,;31.75,-30.16,;31.75,-31.7,;33.09,-32.47,;34.42,-31.7,;35.76,-32.46,;29.08,-30.17,;27.74,-29.4,;29.08,-31.71,;30.42,-32.48,;30.43,-34.02,;29.09,-34.79,;27.75,-34.02,;29.09,-36.33,;27.76,-37.11,;26.42,-36.34,;25.08,-37.11,;23.75,-36.35,;22.42,-37.12,;21.08,-36.35,;27.76,-38.65,;29.1,-39.42,;26.43,-39.42,;26.43,-40.97,;25.1,-41.74,;25.1,-43.28,;26.44,-44.05,;23.77,-44.06,;23.77,-45.6,;25.11,-46.36,;25.11,-47.91,;26.45,-48.67,;27.78,-47.9,;29.12,-48.67,;22.44,-46.37,;21.11,-45.6,;22.44,-47.91,;23.78,-48.68,;23.78,-50.22,;25.12,-50.99,;25.12,-52.53,;26.46,-50.22,;21.11,-48.69,;19.77,-47.92,;19.77,-46.38,;18.44,-45.61,;17.11,-46.38,;15.77,-45.62,;17.11,-47.93,;18.45,-48.69,;25.09,-38.66,;23.76,-39.43,;22.42,-38.66,;21.09,-39.43,;21.09,-40.97,;19.76,-41.75,;22.44,-41.74,;23.76,-40.96,;27.75,-32.48,;26.41,-31.72,;26.42,-30.17,;25.08,-29.41,;23.74,-30.18,;22.4,-29.41,;23.75,-31.73,;25.09,-32.49,;34.39,-22.46,;35.72,-23.22,;35.72,-24.76,;37.06,-25.53,;38.39,-24.76,;39.73,-25.52,;38.37,-23.21,;37.05,-22.45,;27.71,-14.02,;29.04,-13.24,;29.03,-11.7,;30.35,-10.93,;31.7,-11.7,;33.03,-10.92,;31.7,-13.24,;30.37,-14.02,;21.05,-13.27,;21.05,-11.72,;19.71,-10.98,;19.7,-9.44,;21.04,-8.65,;21.04,-7.11,;22.38,-9.43,;22.38,-10.96,;10.36,-16.89,;9.03,-16.13,;7.71,-16.91,;7.73,-18.45,;9.04,-19.2,;10.37,-18.43,;11.72,-19.19,;13.04,-18.41,;14.37,-19.17,;6.39,-19.21,;6.39,-20.75,;5.04,-21.52,;5.04,-18.45,;3.7,-19.21,)| Show InChI InChI=1S/C124H163F6N21O14/c1-5-144(6-2)97-55-57-101-109(77-97)165-110-78-98(145(7-3)8-4)56-58-102(110)117(101)99-23-9-10-24-100(99)118(158)143-108(30-16-22-70-136)124(164)151(84-90-41-53-96(130)54-42-90)76-64-116(157)142-107(29-15-21-69-135)123(163)150(83-89-39-51-95(129)52-40-89)75-63-115(156)141-106(28-14-20-68-134)122(162)149(82-88-37-49-94(128)50-38-88)74-62-114(155)140-105(27-13-19-67-133)121(161)148(81-87-35-47-93(127)48-36-87)73-61-113(154)139-104(26-12-18-66-132)120(160)147(80-86-33-45-92(126)46-34-86)72-60-112(153)138-103(25-11-17-65-131)119(159)146(71-59-111(137)152)79-85-31-43-91(125)44-32-85/h9-10,23-24,31-58,77-78,103-108H,5-8,11-22,25-30,59-76,79-84,131-136H2,1-4H3,(H7-,137,138,139,140,141,142,143,152,153,154,155,156,157,158)/p+1/t103-,104-,105-,106-,107-,108-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238899
(CHEMBL4066521)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,wD:19.20,(17.07,-33.47,;15.74,-32.7,;15.74,-31.16,;17.07,-30.39,;18.39,-31.16,;14.39,-30.39,;14.38,-28.86,;13.06,-28.1,;11.73,-28.87,;10.39,-28.1,;10.39,-26.04,;9.04,-25.29,;9.04,-23.75,;10.37,-22.97,;11.7,-23.74,;11.7,-25.27,;13.03,-26.04,;13.03,-27.6,;14.39,-25.27,;15.74,-26.04,;15.74,-27.6,;17.07,-28.36,;17.07,-29.9,;18.4,-30.67,;19.73,-29.9,;17.08,-25.27,;17.08,-23.71,;18.42,-26.04,;18.43,-27.58,;19.76,-28.34,;21.09,-27.57,;21.09,-26.03,;22.43,-28.34,;23.75,-27.57,;23.76,-26.02,;25.09,-25.26,;25.08,-23.71,;26.41,-22.94,;26.41,-21.4,;25.09,-28.33,;25.1,-29.86,;26.42,-27.55,;27.75,-28.33,;27.76,-29.86,;29.1,-30.62,;30.43,-29.85,;29.1,-32.16,;30.43,-32.93,;31.76,-32.16,;33.1,-32.92,;34.43,-32.15,;35.76,-32.92,;37.09,-32.14,;30.44,-34.47,;29.11,-35.24,;31.77,-35.23,;31.78,-36.77,;30.44,-37.55,;30.45,-39.08,;31.78,-39.84,;29.12,-39.86,;29.12,-41.4,;30.46,-42.17,;30.46,-43.71,;31.8,-44.48,;33.13,-43.7,;34.47,-44.47,;27.79,-42.17,;26.45,-41.4,;27.79,-43.71,;29.13,-44.48,;29.13,-46.03,;27.8,-46.8,;27.8,-48.34,;26.46,-46.03,;26.46,-44.49,;25.12,-43.72,;25.12,-42.18,;23.79,-41.41,;22.45,-42.18,;22.46,-43.74,;23.8,-44.5,;33.1,-34.46,;34.43,-35.23,;34.43,-36.76,;35.77,-37.53,;37.1,-36.76,;37.09,-35.21,;35.76,-34.45,;26.42,-26.02,;27.75,-25.25,;29.08,-26.01,;30.41,-25.24,;30.41,-23.7,;29.06,-22.94,;27.74,-23.71,;19.76,-25.27,;19.75,-23.73,;21.09,-22.97,;21.08,-21.42,;19.74,-20.66,;18.41,-21.44,;18.42,-22.97,;9.06,-28.89,;7.73,-28.13,;6.41,-28.91,;6.43,-30.45,;7.75,-31.21,;9.07,-30.43,;10.42,-31.19,;11.74,-30.41,;13.08,-31.18,;5.08,-31.22,;3.74,-30.45,;2.41,-31.22,;5.08,-32.75,;3.74,-33.52,)| Show InChI InChI=1S/C92H123N15O10/c1-5-102(6-2)71-45-47-75-81(61-71)117-82-62-72(103(7-3)8-4)46-48-76(82)87(75)73-39-21-22-40-74(73)88(112)101-80(44-26-30-56-96)92(116)107(66-70-37-19-12-20-38-70)60-52-86(111)100-79(43-25-29-55-95)91(115)106(65-69-35-17-11-18-36-69)59-51-85(110)99-78(42-24-28-54-94)90(114)105(64-68-33-15-10-16-34-68)58-50-84(109)98-77(41-23-27-53-93)89(113)104(57-49-83(97)108)63-67-31-13-9-14-32-67/h9-22,31-40,45-48,61-62,77-80H,5-8,23-30,41-44,49-60,63-66,93-96H2,1-4H3,(H5-,97,98,99,100,101,108,109,110,111,112)/p+1/t77-,78-,79-,80-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238899
(CHEMBL4066521)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,wD:19.20,(17.07,-33.47,;15.74,-32.7,;15.74,-31.16,;17.07,-30.39,;18.39,-31.16,;14.39,-30.39,;14.38,-28.86,;13.06,-28.1,;11.73,-28.87,;10.39,-28.1,;10.39,-26.04,;9.04,-25.29,;9.04,-23.75,;10.37,-22.97,;11.7,-23.74,;11.7,-25.27,;13.03,-26.04,;13.03,-27.6,;14.39,-25.27,;15.74,-26.04,;15.74,-27.6,;17.07,-28.36,;17.07,-29.9,;18.4,-30.67,;19.73,-29.9,;17.08,-25.27,;17.08,-23.71,;18.42,-26.04,;18.43,-27.58,;19.76,-28.34,;21.09,-27.57,;21.09,-26.03,;22.43,-28.34,;23.75,-27.57,;23.76,-26.02,;25.09,-25.26,;25.08,-23.71,;26.41,-22.94,;26.41,-21.4,;25.09,-28.33,;25.1,-29.86,;26.42,-27.55,;27.75,-28.33,;27.76,-29.86,;29.1,-30.62,;30.43,-29.85,;29.1,-32.16,;30.43,-32.93,;31.76,-32.16,;33.1,-32.92,;34.43,-32.15,;35.76,-32.92,;37.09,-32.14,;30.44,-34.47,;29.11,-35.24,;31.77,-35.23,;31.78,-36.77,;30.44,-37.55,;30.45,-39.08,;31.78,-39.84,;29.12,-39.86,;29.12,-41.4,;30.46,-42.17,;30.46,-43.71,;31.8,-44.48,;33.13,-43.7,;34.47,-44.47,;27.79,-42.17,;26.45,-41.4,;27.79,-43.71,;29.13,-44.48,;29.13,-46.03,;27.8,-46.8,;27.8,-48.34,;26.46,-46.03,;26.46,-44.49,;25.12,-43.72,;25.12,-42.18,;23.79,-41.41,;22.45,-42.18,;22.46,-43.74,;23.8,-44.5,;33.1,-34.46,;34.43,-35.23,;34.43,-36.76,;35.77,-37.53,;37.1,-36.76,;37.09,-35.21,;35.76,-34.45,;26.42,-26.02,;27.75,-25.25,;29.08,-26.01,;30.41,-25.24,;30.41,-23.7,;29.06,-22.94,;27.74,-23.71,;19.76,-25.27,;19.75,-23.73,;21.09,-22.97,;21.08,-21.42,;19.74,-20.66,;18.41,-21.44,;18.42,-22.97,;9.06,-28.89,;7.73,-28.13,;6.41,-28.91,;6.43,-30.45,;7.75,-31.21,;9.07,-30.43,;10.42,-31.19,;11.74,-30.41,;13.08,-31.18,;5.08,-31.22,;3.74,-30.45,;2.41,-31.22,;5.08,-32.75,;3.74,-33.52,)| Show InChI InChI=1S/C92H123N15O10/c1-5-102(6-2)71-45-47-75-81(61-71)117-82-62-72(103(7-3)8-4)46-48-76(82)87(75)73-39-21-22-40-74(73)88(112)101-80(44-26-30-56-96)92(116)107(66-70-37-19-12-20-38-70)60-52-86(111)100-79(43-25-29-55-95)91(115)106(65-69-35-17-11-18-36-69)59-51-85(110)99-78(42-24-28-54-94)90(114)105(64-68-33-15-10-16-34-68)58-50-84(109)98-77(41-23-27-53-93)89(113)104(57-49-83(97)108)63-67-31-13-9-14-32-67/h9-22,31-40,45-48,61-62,77-80H,5-8,23-30,41-44,49-60,63-66,93-96H2,1-4H3,(H5-,97,98,99,100,101,108,109,110,111,112)/p+1/t77-,78-,79-,80-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238899
(CHEMBL4066521)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,wD:19.20,(17.07,-33.47,;15.74,-32.7,;15.74,-31.16,;17.07,-30.39,;18.39,-31.16,;14.39,-30.39,;14.38,-28.86,;13.06,-28.1,;11.73,-28.87,;10.39,-28.1,;10.39,-26.04,;9.04,-25.29,;9.04,-23.75,;10.37,-22.97,;11.7,-23.74,;11.7,-25.27,;13.03,-26.04,;13.03,-27.6,;14.39,-25.27,;15.74,-26.04,;15.74,-27.6,;17.07,-28.36,;17.07,-29.9,;18.4,-30.67,;19.73,-29.9,;17.08,-25.27,;17.08,-23.71,;18.42,-26.04,;18.43,-27.58,;19.76,-28.34,;21.09,-27.57,;21.09,-26.03,;22.43,-28.34,;23.75,-27.57,;23.76,-26.02,;25.09,-25.26,;25.08,-23.71,;26.41,-22.94,;26.41,-21.4,;25.09,-28.33,;25.1,-29.86,;26.42,-27.55,;27.75,-28.33,;27.76,-29.86,;29.1,-30.62,;30.43,-29.85,;29.1,-32.16,;30.43,-32.93,;31.76,-32.16,;33.1,-32.92,;34.43,-32.15,;35.76,-32.92,;37.09,-32.14,;30.44,-34.47,;29.11,-35.24,;31.77,-35.23,;31.78,-36.77,;30.44,-37.55,;30.45,-39.08,;31.78,-39.84,;29.12,-39.86,;29.12,-41.4,;30.46,-42.17,;30.46,-43.71,;31.8,-44.48,;33.13,-43.7,;34.47,-44.47,;27.79,-42.17,;26.45,-41.4,;27.79,-43.71,;29.13,-44.48,;29.13,-46.03,;27.8,-46.8,;27.8,-48.34,;26.46,-46.03,;26.46,-44.49,;25.12,-43.72,;25.12,-42.18,;23.79,-41.41,;22.45,-42.18,;22.46,-43.74,;23.8,-44.5,;33.1,-34.46,;34.43,-35.23,;34.43,-36.76,;35.77,-37.53,;37.1,-36.76,;37.09,-35.21,;35.76,-34.45,;26.42,-26.02,;27.75,-25.25,;29.08,-26.01,;30.41,-25.24,;30.41,-23.7,;29.06,-22.94,;27.74,-23.71,;19.76,-25.27,;19.75,-23.73,;21.09,-22.97,;21.08,-21.42,;19.74,-20.66,;18.41,-21.44,;18.42,-22.97,;9.06,-28.89,;7.73,-28.13,;6.41,-28.91,;6.43,-30.45,;7.75,-31.21,;9.07,-30.43,;10.42,-31.19,;11.74,-30.41,;13.08,-31.18,;5.08,-31.22,;3.74,-30.45,;2.41,-31.22,;5.08,-32.75,;3.74,-33.52,)| Show InChI InChI=1S/C92H123N15O10/c1-5-102(6-2)71-45-47-75-81(61-71)117-82-62-72(103(7-3)8-4)46-48-76(82)87(75)73-39-21-22-40-74(73)88(112)101-80(44-26-30-56-96)92(116)107(66-70-37-19-12-20-38-70)60-52-86(111)100-79(43-25-29-55-95)91(115)106(65-69-35-17-11-18-36-69)59-51-85(110)99-78(42-24-28-54-94)90(114)105(64-68-33-15-10-16-34-68)58-50-84(109)98-77(41-23-27-53-93)89(113)104(57-49-83(97)108)63-67-31-13-9-14-32-67/h9-22,31-40,45-48,61-62,77-80H,5-8,23-30,41-44,49-60,63-66,93-96H2,1-4H3,(H5-,97,98,99,100,101,108,109,110,111,112)/p+1/t77-,78-,79-,80-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238906
(CHEMBL4081147)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,89.90,wD:19.20,75.76,(17.08,-26.39,;15.75,-25.63,;15.75,-24.08,;17.08,-23.32,;18.4,-24.08,;14.4,-23.32,;14.39,-21.79,;13.07,-21.03,;11.74,-21.8,;10.41,-21.03,;10.4,-18.98,;9.05,-18.22,;9.05,-16.68,;10.39,-15.91,;11.71,-16.67,;11.71,-18.2,;13.04,-18.97,;13.04,-20.53,;14.4,-18.2,;15.75,-18.97,;15.75,-20.53,;17.07,-21.29,;17.07,-22.83,;18.41,-23.6,;19.73,-22.83,;17.09,-18.2,;17.09,-16.65,;18.43,-18.97,;18.44,-20.51,;19.76,-21.27,;21.09,-20.5,;21.1,-18.96,;22.43,-21.27,;23.75,-20.5,;23.76,-18.95,;25.09,-18.19,;25.08,-16.65,;26.41,-15.87,;26.41,-14.34,;25.09,-21.26,;25.1,-22.79,;26.42,-20.49,;27.75,-21.26,;27.76,-22.79,;29.09,-23.55,;30.42,-22.78,;29.09,-25.09,;30.43,-25.86,;31.76,-25.08,;33.09,-25.85,;34.42,-25.07,;35.75,-25.84,;37.08,-25.07,;30.43,-27.39,;29.1,-28.16,;31.76,-28.15,;31.77,-29.69,;30.44,-30.47,;30.44,-32,;31.77,-32.76,;29.11,-32.77,;29.12,-34.32,;30.45,-35.08,;30.46,-36.62,;31.79,-37.39,;33.13,-36.62,;34.46,-37.38,;27.78,-35.09,;26.45,-34.32,;27.79,-36.63,;29.12,-37.4,;29.13,-38.94,;27.8,-39.71,;26.46,-38.94,;27.8,-41.25,;26.47,-42.03,;25.13,-41.26,;23.8,-42.03,;22.46,-41.27,;21.13,-42.04,;19.79,-41.27,;26.47,-43.57,;27.81,-44.33,;25.14,-44.34,;25.14,-45.88,;23.81,-46.66,;23.81,-48.2,;25.15,-48.96,;22.48,-48.97,;22.48,-50.51,;23.82,-51.28,;23.82,-52.82,;25.16,-53.59,;26.49,-52.81,;27.83,-53.58,;21.15,-51.29,;19.81,-50.52,;21.15,-52.83,;22.49,-53.59,;22.49,-55.13,;23.83,-55.9,;23.83,-57.44,;25.16,-55.13,;19.82,-53.6,;18.48,-52.83,;18.49,-51.29,;17.15,-50.52,;15.82,-51.3,;15.82,-52.85,;17.16,-53.61,;23.8,-43.57,;22.47,-44.35,;21.13,-43.58,;19.8,-44.35,;19.8,-45.89,;21.15,-46.66,;22.47,-45.88,;26.46,-37.4,;25.12,-36.64,;25.12,-35.09,;23.79,-34.33,;22.45,-35.1,;22.46,-36.65,;23.8,-37.41,;33.09,-27.39,;34.42,-28.15,;34.42,-29.68,;35.76,-30.45,;37.09,-29.68,;37.08,-28.13,;35.75,-27.37,;26.42,-18.95,;27.75,-18.18,;29.08,-18.94,;30.4,-18.17,;30.4,-16.64,;29.06,-15.88,;27.74,-16.65,;19.76,-18.2,;19.75,-16.66,;21.09,-15.9,;21.09,-14.36,;19.75,-13.6,;18.42,-14.38,;18.43,-15.91,;9.07,-21.82,;7.75,-21.06,;6.43,-21.84,;6.45,-23.37,;7.76,-24.13,;9.09,-23.36,;10.43,-24.12,;11.75,-23.34,;13.09,-24.1,;5.1,-24.14,;3.76,-23.37,;2.43,-24.14,;5.1,-25.68,;3.76,-26.45,)| Show InChI InChI=1S/C124H169N21O14/c1-5-138(6-2)97-61-63-101-109(83-97)159-110-84-98(139(7-3)8-4)62-64-102(110)117(101)99-53-27-28-54-100(99)118(152)137-108(60-34-40-76-130)124(158)145(90-96-51-25-14-26-52-96)82-70-116(151)136-107(59-33-39-75-129)123(157)144(89-95-49-23-13-24-50-95)81-69-115(150)135-106(58-32-38-74-128)122(156)143(88-94-47-21-12-22-48-94)80-68-114(149)134-105(57-31-37-73-127)121(155)142(87-93-45-19-11-20-46-93)79-67-113(148)133-104(56-30-36-72-126)120(154)141(86-92-43-17-10-18-44-92)78-66-112(147)132-103(55-29-35-71-125)119(153)140(77-65-111(131)146)85-91-41-15-9-16-42-91/h9-28,41-54,61-64,83-84,103-108H,5-8,29-40,55-60,65-82,85-90,125-130H2,1-4H3,(H7-,131,132,133,134,135,136,137,146,147,148,149,150,151,152)/p+1/t103-,104-,105-,106-,107-,108-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238906
(CHEMBL4081147)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,89.90,wD:19.20,75.76,(17.08,-26.39,;15.75,-25.63,;15.75,-24.08,;17.08,-23.32,;18.4,-24.08,;14.4,-23.32,;14.39,-21.79,;13.07,-21.03,;11.74,-21.8,;10.41,-21.03,;10.4,-18.98,;9.05,-18.22,;9.05,-16.68,;10.39,-15.91,;11.71,-16.67,;11.71,-18.2,;13.04,-18.97,;13.04,-20.53,;14.4,-18.2,;15.75,-18.97,;15.75,-20.53,;17.07,-21.29,;17.07,-22.83,;18.41,-23.6,;19.73,-22.83,;17.09,-18.2,;17.09,-16.65,;18.43,-18.97,;18.44,-20.51,;19.76,-21.27,;21.09,-20.5,;21.1,-18.96,;22.43,-21.27,;23.75,-20.5,;23.76,-18.95,;25.09,-18.19,;25.08,-16.65,;26.41,-15.87,;26.41,-14.34,;25.09,-21.26,;25.1,-22.79,;26.42,-20.49,;27.75,-21.26,;27.76,-22.79,;29.09,-23.55,;30.42,-22.78,;29.09,-25.09,;30.43,-25.86,;31.76,-25.08,;33.09,-25.85,;34.42,-25.07,;35.75,-25.84,;37.08,-25.07,;30.43,-27.39,;29.1,-28.16,;31.76,-28.15,;31.77,-29.69,;30.44,-30.47,;30.44,-32,;31.77,-32.76,;29.11,-32.77,;29.12,-34.32,;30.45,-35.08,;30.46,-36.62,;31.79,-37.39,;33.13,-36.62,;34.46,-37.38,;27.78,-35.09,;26.45,-34.32,;27.79,-36.63,;29.12,-37.4,;29.13,-38.94,;27.8,-39.71,;26.46,-38.94,;27.8,-41.25,;26.47,-42.03,;25.13,-41.26,;23.8,-42.03,;22.46,-41.27,;21.13,-42.04,;19.79,-41.27,;26.47,-43.57,;27.81,-44.33,;25.14,-44.34,;25.14,-45.88,;23.81,-46.66,;23.81,-48.2,;25.15,-48.96,;22.48,-48.97,;22.48,-50.51,;23.82,-51.28,;23.82,-52.82,;25.16,-53.59,;26.49,-52.81,;27.83,-53.58,;21.15,-51.29,;19.81,-50.52,;21.15,-52.83,;22.49,-53.59,;22.49,-55.13,;23.83,-55.9,;23.83,-57.44,;25.16,-55.13,;19.82,-53.6,;18.48,-52.83,;18.49,-51.29,;17.15,-50.52,;15.82,-51.3,;15.82,-52.85,;17.16,-53.61,;23.8,-43.57,;22.47,-44.35,;21.13,-43.58,;19.8,-44.35,;19.8,-45.89,;21.15,-46.66,;22.47,-45.88,;26.46,-37.4,;25.12,-36.64,;25.12,-35.09,;23.79,-34.33,;22.45,-35.1,;22.46,-36.65,;23.8,-37.41,;33.09,-27.39,;34.42,-28.15,;34.42,-29.68,;35.76,-30.45,;37.09,-29.68,;37.08,-28.13,;35.75,-27.37,;26.42,-18.95,;27.75,-18.18,;29.08,-18.94,;30.4,-18.17,;30.4,-16.64,;29.06,-15.88,;27.74,-16.65,;19.76,-18.2,;19.75,-16.66,;21.09,-15.9,;21.09,-14.36,;19.75,-13.6,;18.42,-14.38,;18.43,-15.91,;9.07,-21.82,;7.75,-21.06,;6.43,-21.84,;6.45,-23.37,;7.76,-24.13,;9.09,-23.36,;10.43,-24.12,;11.75,-23.34,;13.09,-24.1,;5.1,-24.14,;3.76,-23.37,;2.43,-24.14,;5.1,-25.68,;3.76,-26.45,)| Show InChI InChI=1S/C124H169N21O14/c1-5-138(6-2)97-61-63-101-109(83-97)159-110-84-98(139(7-3)8-4)62-64-102(110)117(101)99-53-27-28-54-100(99)118(152)137-108(60-34-40-76-130)124(158)145(90-96-51-25-14-26-52-96)82-70-116(151)136-107(59-33-39-75-129)123(157)144(89-95-49-23-13-24-50-95)81-69-115(150)135-106(58-32-38-74-128)122(156)143(88-94-47-21-12-22-48-94)80-68-114(149)134-105(57-31-37-73-127)121(155)142(87-93-45-19-11-20-46-93)79-67-113(148)133-104(56-30-36-72-126)120(154)141(86-92-43-17-10-18-44-92)78-66-112(147)132-103(55-29-35-71-125)119(153)140(77-65-111(131)146)85-91-41-15-9-16-42-91/h9-28,41-54,61-64,83-84,103-108H,5-8,29-40,55-60,65-82,85-90,125-130H2,1-4H3,(H7-,131,132,133,134,135,136,137,146,147,148,149,150,151,152)/p+1/t103-,104-,105-,106-,107-,108-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238906
(CHEMBL4081147)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,89.90,wD:19.20,75.76,(17.08,-26.39,;15.75,-25.63,;15.75,-24.08,;17.08,-23.32,;18.4,-24.08,;14.4,-23.32,;14.39,-21.79,;13.07,-21.03,;11.74,-21.8,;10.41,-21.03,;10.4,-18.98,;9.05,-18.22,;9.05,-16.68,;10.39,-15.91,;11.71,-16.67,;11.71,-18.2,;13.04,-18.97,;13.04,-20.53,;14.4,-18.2,;15.75,-18.97,;15.75,-20.53,;17.07,-21.29,;17.07,-22.83,;18.41,-23.6,;19.73,-22.83,;17.09,-18.2,;17.09,-16.65,;18.43,-18.97,;18.44,-20.51,;19.76,-21.27,;21.09,-20.5,;21.1,-18.96,;22.43,-21.27,;23.75,-20.5,;23.76,-18.95,;25.09,-18.19,;25.08,-16.65,;26.41,-15.87,;26.41,-14.34,;25.09,-21.26,;25.1,-22.79,;26.42,-20.49,;27.75,-21.26,;27.76,-22.79,;29.09,-23.55,;30.42,-22.78,;29.09,-25.09,;30.43,-25.86,;31.76,-25.08,;33.09,-25.85,;34.42,-25.07,;35.75,-25.84,;37.08,-25.07,;30.43,-27.39,;29.1,-28.16,;31.76,-28.15,;31.77,-29.69,;30.44,-30.47,;30.44,-32,;31.77,-32.76,;29.11,-32.77,;29.12,-34.32,;30.45,-35.08,;30.46,-36.62,;31.79,-37.39,;33.13,-36.62,;34.46,-37.38,;27.78,-35.09,;26.45,-34.32,;27.79,-36.63,;29.12,-37.4,;29.13,-38.94,;27.8,-39.71,;26.46,-38.94,;27.8,-41.25,;26.47,-42.03,;25.13,-41.26,;23.8,-42.03,;22.46,-41.27,;21.13,-42.04,;19.79,-41.27,;26.47,-43.57,;27.81,-44.33,;25.14,-44.34,;25.14,-45.88,;23.81,-46.66,;23.81,-48.2,;25.15,-48.96,;22.48,-48.97,;22.48,-50.51,;23.82,-51.28,;23.82,-52.82,;25.16,-53.59,;26.49,-52.81,;27.83,-53.58,;21.15,-51.29,;19.81,-50.52,;21.15,-52.83,;22.49,-53.59,;22.49,-55.13,;23.83,-55.9,;23.83,-57.44,;25.16,-55.13,;19.82,-53.6,;18.48,-52.83,;18.49,-51.29,;17.15,-50.52,;15.82,-51.3,;15.82,-52.85,;17.16,-53.61,;23.8,-43.57,;22.47,-44.35,;21.13,-43.58,;19.8,-44.35,;19.8,-45.89,;21.15,-46.66,;22.47,-45.88,;26.46,-37.4,;25.12,-36.64,;25.12,-35.09,;23.79,-34.33,;22.45,-35.1,;22.46,-36.65,;23.8,-37.41,;33.09,-27.39,;34.42,-28.15,;34.42,-29.68,;35.76,-30.45,;37.09,-29.68,;37.08,-28.13,;35.75,-27.37,;26.42,-18.95,;27.75,-18.18,;29.08,-18.94,;30.4,-18.17,;30.4,-16.64,;29.06,-15.88,;27.74,-16.65,;19.76,-18.2,;19.75,-16.66,;21.09,-15.9,;21.09,-14.36,;19.75,-13.6,;18.42,-14.38,;18.43,-15.91,;9.07,-21.82,;7.75,-21.06,;6.43,-21.84,;6.45,-23.37,;7.76,-24.13,;9.09,-23.36,;10.43,-24.12,;11.75,-23.34,;13.09,-24.1,;5.1,-24.14,;3.76,-23.37,;2.43,-24.14,;5.1,-25.68,;3.76,-26.45,)| Show InChI InChI=1S/C124H169N21O14/c1-5-138(6-2)97-61-63-101-109(83-97)159-110-84-98(139(7-3)8-4)62-64-102(110)117(101)99-53-27-28-54-100(99)118(152)137-108(60-34-40-76-130)124(158)145(90-96-51-25-14-26-52-96)82-70-116(151)136-107(59-33-39-75-129)123(157)144(89-95-49-23-13-24-50-95)81-69-115(150)135-106(58-32-38-74-128)122(156)143(88-94-47-21-12-22-48-94)80-68-114(149)134-105(57-31-37-73-127)121(155)142(87-93-45-19-11-20-46-93)79-67-113(148)133-104(56-30-36-72-126)120(154)141(86-92-43-17-10-18-44-92)78-66-112(147)132-103(55-29-35-71-125)119(153)140(77-65-111(131)146)85-91-41-15-9-16-42-91/h9-28,41-54,61-64,83-84,103-108H,5-8,29-40,55-60,65-82,85-90,125-130H2,1-4H3,(H7-,131,132,133,134,135,136,137,146,147,148,149,150,151,152)/p+1/t103-,104-,105-,106-,107-,108-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238900
(CHEMBL4090485)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,wD:19.20,75.76,(17.31,-31.78,;15.97,-31.01,;15.97,-29.47,;17.31,-28.7,;18.63,-29.46,;14.62,-28.7,;14.61,-27.17,;13.29,-26.4,;11.96,-27.18,;10.63,-26.41,;10.62,-24.35,;9.27,-23.59,;9.27,-22.05,;10.61,-21.28,;11.93,-22.05,;11.93,-23.57,;13.27,-24.35,;13.27,-25.9,;14.62,-23.57,;15.97,-24.35,;15.97,-25.9,;17.3,-26.67,;17.3,-28.21,;18.63,-28.98,;19.96,-28.21,;17.32,-23.57,;17.32,-22.02,;18.66,-24.35,;18.66,-25.89,;19.99,-26.65,;21.32,-25.88,;21.33,-24.34,;22.66,-26.65,;23.99,-25.87,;23.99,-24.33,;25.32,-23.56,;25.31,-22.02,;26.65,-21.25,;26.64,-19.71,;25.32,-26.64,;25.33,-28.17,;26.66,-25.86,;27.99,-26.63,;27.99,-28.17,;29.33,-28.93,;30.66,-28.16,;29.33,-30.47,;30.67,-31.24,;32,-30.47,;33.33,-31.23,;34.66,-30.46,;36,-31.23,;37.32,-30.45,;30.67,-32.77,;29.34,-33.55,;32,-33.54,;32.01,-35.08,;30.68,-35.85,;30.68,-37.39,;32.01,-38.15,;29.35,-38.16,;29.35,-39.71,;30.69,-40.47,;30.7,-42.02,;32.03,-42.78,;33.37,-42.01,;34.7,-42.78,;28.02,-40.48,;26.68,-39.71,;28.02,-42.02,;29.36,-42.79,;29.36,-44.33,;28.03,-45.11,;26.69,-44.34,;28.03,-46.65,;26.7,-47.42,;25.36,-46.66,;24.03,-47.43,;22.69,-46.66,;21.36,-47.44,;20.02,-46.67,;26.7,-48.97,;28.04,-49.74,;25.37,-49.74,;25.37,-51.28,;24.04,-52.06,;24.04,-53.6,;22.71,-54.37,;25.38,-54.37,;24.03,-48.97,;22.7,-49.75,;21.36,-48.98,;20.03,-49.75,;20.03,-51.29,;21.38,-52.06,;22.71,-51.28,;26.69,-42.8,;25.35,-42.03,;25.36,-40.49,;24.02,-39.72,;22.68,-40.49,;22.69,-42.04,;24.03,-42.8,;33.33,-32.77,;34.66,-33.54,;34.67,-35.07,;36,-35.84,;37.34,-35.07,;37.32,-33.52,;35.99,-32.76,;26.65,-24.33,;27.98,-23.55,;29.31,-24.32,;30.64,-23.55,;30.64,-22.01,;29.29,-21.25,;27.97,-22.02,;19.99,-23.58,;19.98,-22.03,;21.32,-21.27,;21.32,-19.73,;19.98,-18.97,;18.65,-19.75,;18.65,-21.28,;9.29,-27.2,;7.97,-26.44,;6.64,-27.22,;6.66,-28.76,;7.98,-29.51,;9.3,-28.74,;10.65,-29.5,;11.97,-28.72,;13.31,-29.48,;5.32,-29.52,;3.98,-28.76,;2.65,-29.52,;5.32,-31.06,;3.98,-31.83,)| Show InChI InChI=1S/C108H146N18O12/c1-5-120(6-2)84-53-55-88-95(72-84)138-96-73-85(121(7-3)8-4)54-56-89(96)102(88)86-46-24-25-47-87(86)103(132)119-94(52-30-35-66-113)108(137)126(78-83-44-22-13-23-45-83)71-61-101(131)118-93(51-29-34-65-112)107(136)125(77-82-42-20-12-21-43-82)70-60-100(130)117-92(50-28-33-64-111)106(135)124(76-81-40-18-11-19-41-81)69-59-99(129)116-91(49-27-32-63-110)105(134)123(75-80-38-16-10-17-39-80)68-58-98(128)115-90(48-26-31-62-109)104(133)122(67-57-97(114)127)74-79-36-14-9-15-37-79/h9-25,36-47,53-56,72-73,90-94H,5-8,26-35,48-52,57-71,74-78,109-113H2,1-4H3,(H6-,114,115,116,117,118,119,127,128,129,130,131,132)/p+1/t90-,91-,92-,93-,94-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Opioid receptor affinity against Opioid receptor kappa 1 by using the curve-fitting program LIGAND |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238900
(CHEMBL4090485)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,wD:19.20,75.76,(17.31,-31.78,;15.97,-31.01,;15.97,-29.47,;17.31,-28.7,;18.63,-29.46,;14.62,-28.7,;14.61,-27.17,;13.29,-26.4,;11.96,-27.18,;10.63,-26.41,;10.62,-24.35,;9.27,-23.59,;9.27,-22.05,;10.61,-21.28,;11.93,-22.05,;11.93,-23.57,;13.27,-24.35,;13.27,-25.9,;14.62,-23.57,;15.97,-24.35,;15.97,-25.9,;17.3,-26.67,;17.3,-28.21,;18.63,-28.98,;19.96,-28.21,;17.32,-23.57,;17.32,-22.02,;18.66,-24.35,;18.66,-25.89,;19.99,-26.65,;21.32,-25.88,;21.33,-24.34,;22.66,-26.65,;23.99,-25.87,;23.99,-24.33,;25.32,-23.56,;25.31,-22.02,;26.65,-21.25,;26.64,-19.71,;25.32,-26.64,;25.33,-28.17,;26.66,-25.86,;27.99,-26.63,;27.99,-28.17,;29.33,-28.93,;30.66,-28.16,;29.33,-30.47,;30.67,-31.24,;32,-30.47,;33.33,-31.23,;34.66,-30.46,;36,-31.23,;37.32,-30.45,;30.67,-32.77,;29.34,-33.55,;32,-33.54,;32.01,-35.08,;30.68,-35.85,;30.68,-37.39,;32.01,-38.15,;29.35,-38.16,;29.35,-39.71,;30.69,-40.47,;30.7,-42.02,;32.03,-42.78,;33.37,-42.01,;34.7,-42.78,;28.02,-40.48,;26.68,-39.71,;28.02,-42.02,;29.36,-42.79,;29.36,-44.33,;28.03,-45.11,;26.69,-44.34,;28.03,-46.65,;26.7,-47.42,;25.36,-46.66,;24.03,-47.43,;22.69,-46.66,;21.36,-47.44,;20.02,-46.67,;26.7,-48.97,;28.04,-49.74,;25.37,-49.74,;25.37,-51.28,;24.04,-52.06,;24.04,-53.6,;22.71,-54.37,;25.38,-54.37,;24.03,-48.97,;22.7,-49.75,;21.36,-48.98,;20.03,-49.75,;20.03,-51.29,;21.38,-52.06,;22.71,-51.28,;26.69,-42.8,;25.35,-42.03,;25.36,-40.49,;24.02,-39.72,;22.68,-40.49,;22.69,-42.04,;24.03,-42.8,;33.33,-32.77,;34.66,-33.54,;34.67,-35.07,;36,-35.84,;37.34,-35.07,;37.32,-33.52,;35.99,-32.76,;26.65,-24.33,;27.98,-23.55,;29.31,-24.32,;30.64,-23.55,;30.64,-22.01,;29.29,-21.25,;27.97,-22.02,;19.99,-23.58,;19.98,-22.03,;21.32,-21.27,;21.32,-19.73,;19.98,-18.97,;18.65,-19.75,;18.65,-21.28,;9.29,-27.2,;7.97,-26.44,;6.64,-27.22,;6.66,-28.76,;7.98,-29.51,;9.3,-28.74,;10.65,-29.5,;11.97,-28.72,;13.31,-29.48,;5.32,-29.52,;3.98,-28.76,;2.65,-29.52,;5.32,-31.06,;3.98,-31.83,)| Show InChI InChI=1S/C108H146N18O12/c1-5-120(6-2)84-53-55-88-95(72-84)138-96-73-85(121(7-3)8-4)54-56-89(96)102(88)86-46-24-25-47-87(86)103(132)119-94(52-30-35-66-113)108(137)126(78-83-44-22-13-23-45-83)71-61-101(131)118-93(51-29-34-65-112)107(136)125(77-82-42-20-12-21-43-82)70-60-100(130)117-92(50-28-33-64-111)106(135)124(76-81-40-18-11-19-41-81)69-59-99(129)116-91(49-27-32-63-110)105(134)123(75-80-38-16-10-17-39-80)68-58-98(128)115-90(48-26-31-62-109)104(133)122(67-57-97(114)127)74-79-36-14-9-15-37-79/h9-25,36-47,53-56,72-73,90-94H,5-8,26-35,48-52,57-71,74-78,109-113H2,1-4H3,(H6-,114,115,116,117,118,119,127,128,129,130,131,132)/p+1/t90-,91-,92-,93-,94-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Opioid receptor affinity against Opioid receptor kappa 1 by using the curve-fitting program LIGAND |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238900
(CHEMBL4090485)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,wD:19.20,75.76,(17.31,-31.78,;15.97,-31.01,;15.97,-29.47,;17.31,-28.7,;18.63,-29.46,;14.62,-28.7,;14.61,-27.17,;13.29,-26.4,;11.96,-27.18,;10.63,-26.41,;10.62,-24.35,;9.27,-23.59,;9.27,-22.05,;10.61,-21.28,;11.93,-22.05,;11.93,-23.57,;13.27,-24.35,;13.27,-25.9,;14.62,-23.57,;15.97,-24.35,;15.97,-25.9,;17.3,-26.67,;17.3,-28.21,;18.63,-28.98,;19.96,-28.21,;17.32,-23.57,;17.32,-22.02,;18.66,-24.35,;18.66,-25.89,;19.99,-26.65,;21.32,-25.88,;21.33,-24.34,;22.66,-26.65,;23.99,-25.87,;23.99,-24.33,;25.32,-23.56,;25.31,-22.02,;26.65,-21.25,;26.64,-19.71,;25.32,-26.64,;25.33,-28.17,;26.66,-25.86,;27.99,-26.63,;27.99,-28.17,;29.33,-28.93,;30.66,-28.16,;29.33,-30.47,;30.67,-31.24,;32,-30.47,;33.33,-31.23,;34.66,-30.46,;36,-31.23,;37.32,-30.45,;30.67,-32.77,;29.34,-33.55,;32,-33.54,;32.01,-35.08,;30.68,-35.85,;30.68,-37.39,;32.01,-38.15,;29.35,-38.16,;29.35,-39.71,;30.69,-40.47,;30.7,-42.02,;32.03,-42.78,;33.37,-42.01,;34.7,-42.78,;28.02,-40.48,;26.68,-39.71,;28.02,-42.02,;29.36,-42.79,;29.36,-44.33,;28.03,-45.11,;26.69,-44.34,;28.03,-46.65,;26.7,-47.42,;25.36,-46.66,;24.03,-47.43,;22.69,-46.66,;21.36,-47.44,;20.02,-46.67,;26.7,-48.97,;28.04,-49.74,;25.37,-49.74,;25.37,-51.28,;24.04,-52.06,;24.04,-53.6,;22.71,-54.37,;25.38,-54.37,;24.03,-48.97,;22.7,-49.75,;21.36,-48.98,;20.03,-49.75,;20.03,-51.29,;21.38,-52.06,;22.71,-51.28,;26.69,-42.8,;25.35,-42.03,;25.36,-40.49,;24.02,-39.72,;22.68,-40.49,;22.69,-42.04,;24.03,-42.8,;33.33,-32.77,;34.66,-33.54,;34.67,-35.07,;36,-35.84,;37.34,-35.07,;37.32,-33.52,;35.99,-32.76,;26.65,-24.33,;27.98,-23.55,;29.31,-24.32,;30.64,-23.55,;30.64,-22.01,;29.29,-21.25,;27.97,-22.02,;19.99,-23.58,;19.98,-22.03,;21.32,-21.27,;21.32,-19.73,;19.98,-18.97,;18.65,-19.75,;18.65,-21.28,;9.29,-27.2,;7.97,-26.44,;6.64,-27.22,;6.66,-28.76,;7.98,-29.51,;9.3,-28.74,;10.65,-29.5,;11.97,-28.72,;13.31,-29.48,;5.32,-29.52,;3.98,-28.76,;2.65,-29.52,;5.32,-31.06,;3.98,-31.83,)| Show InChI InChI=1S/C108H146N18O12/c1-5-120(6-2)84-53-55-88-95(72-84)138-96-73-85(121(7-3)8-4)54-56-89(96)102(88)86-46-24-25-47-87(86)103(132)119-94(52-30-35-66-113)108(137)126(78-83-44-22-13-23-45-83)71-61-101(131)118-93(51-29-34-65-112)107(136)125(77-82-42-20-12-21-43-82)70-60-100(130)117-92(50-28-33-64-111)106(135)124(76-81-40-18-11-19-41-81)69-59-99(129)116-91(49-27-32-63-110)105(134)123(75-80-38-16-10-17-39-80)68-58-98(128)115-90(48-26-31-62-109)104(133)122(67-57-97(114)127)74-79-36-14-9-15-37-79/h9-25,36-47,53-56,72-73,90-94H,5-8,26-35,48-52,57-71,74-78,109-113H2,1-4H3,(H6-,114,115,116,117,118,119,127,128,129,130,131,132)/p+1/t90-,91-,92-,93-,94-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Opioid receptor affinity against Opioid receptor kappa 1 by using the curve-fitting program LIGAND |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238909
(CHEMBL4062611)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:89.90,47.48,61.62,33.34,wD:75.76,19.20,(18.68,-25.46,;17.36,-24.7,;16.03,-25.47,;16.03,-27.01,;17.36,-27.78,;14.68,-24.7,;14.68,-23.17,;13.35,-22.41,;12.02,-23.18,;10.69,-22.41,;10.68,-20.36,;9.34,-19.6,;9.34,-18.06,;10.67,-17.27,;11.99,-18.05,;11.99,-19.58,;13.32,-20.36,;13.32,-21.91,;14.68,-19.58,;16.03,-20.36,;16.03,-21.91,;17.35,-22.68,;17.35,-24.21,;18.69,-24.98,;20.02,-24.21,;17.37,-19.58,;17.37,-18.01,;18.71,-20.36,;18.72,-21.89,;20.05,-22.65,;21.38,-21.88,;21.38,-20.34,;22.71,-22.65,;24.04,-21.88,;24.04,-20.33,;25.37,-19.55,;25.37,-18.01,;26.7,-17.24,;26.69,-15.71,;25.38,-22.64,;25.38,-24.17,;26.71,-21.87,;28.04,-22.64,;28.04,-24.17,;29.38,-24.93,;30.71,-24.16,;29.38,-26.47,;30.72,-27.24,;32.05,-26.47,;33.37,-27.23,;34.71,-26.46,;36.05,-27.23,;37.37,-26.45,;30.72,-28.77,;29.39,-29.55,;32.05,-29.54,;32.06,-31.08,;30.73,-31.85,;30.73,-33.39,;32.06,-34.15,;29.4,-34.16,;29.41,-35.7,;30.74,-36.47,;30.75,-38.01,;32.08,-38.78,;33.41,-38.01,;34.76,-38.77,;28.07,-36.48,;26.73,-35.71,;28.07,-38.02,;29.42,-38.79,;29.42,-40.33,;28.08,-41.1,;26.75,-40.33,;28.08,-42.64,;26.75,-43.42,;25.42,-42.65,;24.08,-43.42,;22.74,-42.66,;21.41,-43.43,;20.08,-42.66,;26.76,-44.96,;28.09,-45.73,;25.43,-45.73,;25.43,-47.27,;24.09,-48.05,;24.09,-49.59,;25.44,-50.36,;22.76,-50.36,;22.77,-51.91,;24.1,-52.67,;24.1,-54.22,;25.45,-54.98,;26.78,-54.21,;28.11,-54.98,;21.44,-52.68,;20.1,-51.91,;21.44,-54.22,;22.77,-54.99,;22.78,-56.53,;24.11,-57.3,;24.12,-58.84,;25.45,-56.52,;20.11,-55,;18.76,-54.23,;18.77,-52.69,;17.43,-51.92,;16.1,-52.69,;14.76,-51.93,;16.11,-54.24,;17.44,-55,;24.08,-44.97,;22.75,-45.74,;21.42,-44.97,;20.09,-45.74,;20.09,-47.28,;18.76,-48.06,;21.43,-48.05,;22.76,-47.27,;26.74,-38.79,;25.41,-38.02,;25.41,-36.48,;24.07,-35.71,;22.74,-36.49,;21.4,-35.72,;22.75,-38.04,;24.08,-38.8,;33.38,-28.77,;34.71,-29.53,;34.72,-31.07,;36.05,-31.84,;37.38,-31.07,;38.72,-31.83,;37.37,-29.52,;36.04,-28.76,;26.7,-20.33,;28.03,-19.55,;28.02,-18.01,;29.35,-17.24,;30.69,-18.01,;32.02,-17.23,;30.69,-19.55,;29.37,-20.33,;20.05,-19.58,;20.04,-18.03,;18.71,-17.29,;18.7,-15.75,;20.04,-14.96,;20.03,-13.42,;21.37,-15.74,;21.38,-17.27,;9.36,-23.2,;8.03,-22.44,;6.71,-23.22,;6.73,-24.76,;8.04,-25.51,;9.36,-24.74,;10.71,-25.5,;12.03,-24.72,;13.37,-25.48,;5.38,-25.52,;5.38,-27.06,;4.04,-27.83,;4.04,-24.76,;2.7,-25.52,)| Show InChI InChI=1S/C130H181N21O14/c1-11-144(12-2)103-61-63-107-115(83-103)165-116-84-104(145(13-3)14-4)62-64-108(116)123(107)105-29-15-16-30-106(105)124(158)143-114(36-22-28-76-136)130(164)151(90-102-59-47-96(10)48-60-102)82-70-122(157)142-113(35-21-27-75-135)129(163)150(89-101-57-45-95(9)46-58-101)81-69-121(156)141-112(34-20-26-74-134)128(162)149(88-100-55-43-94(8)44-56-100)80-68-120(155)140-111(33-19-25-73-133)127(161)148(87-99-53-41-93(7)42-54-99)79-67-119(154)139-110(32-18-24-72-132)126(160)147(86-98-51-39-92(6)40-52-98)78-66-118(153)138-109(31-17-23-71-131)125(159)146(77-65-117(137)152)85-97-49-37-91(5)38-50-97/h15-16,29-30,37-64,83-84,109-114H,11-14,17-28,31-36,65-82,85-90,131-136H2,1-10H3,(H7-,137,138,139,140,141,142,143,152,153,154,155,156,157,158)/p+1/t109-,110-,111-,112-,113-,114-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238909
(CHEMBL4062611)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:89.90,47.48,61.62,33.34,wD:75.76,19.20,(18.68,-25.46,;17.36,-24.7,;16.03,-25.47,;16.03,-27.01,;17.36,-27.78,;14.68,-24.7,;14.68,-23.17,;13.35,-22.41,;12.02,-23.18,;10.69,-22.41,;10.68,-20.36,;9.34,-19.6,;9.34,-18.06,;10.67,-17.27,;11.99,-18.05,;11.99,-19.58,;13.32,-20.36,;13.32,-21.91,;14.68,-19.58,;16.03,-20.36,;16.03,-21.91,;17.35,-22.68,;17.35,-24.21,;18.69,-24.98,;20.02,-24.21,;17.37,-19.58,;17.37,-18.01,;18.71,-20.36,;18.72,-21.89,;20.05,-22.65,;21.38,-21.88,;21.38,-20.34,;22.71,-22.65,;24.04,-21.88,;24.04,-20.33,;25.37,-19.55,;25.37,-18.01,;26.7,-17.24,;26.69,-15.71,;25.38,-22.64,;25.38,-24.17,;26.71,-21.87,;28.04,-22.64,;28.04,-24.17,;29.38,-24.93,;30.71,-24.16,;29.38,-26.47,;30.72,-27.24,;32.05,-26.47,;33.37,-27.23,;34.71,-26.46,;36.05,-27.23,;37.37,-26.45,;30.72,-28.77,;29.39,-29.55,;32.05,-29.54,;32.06,-31.08,;30.73,-31.85,;30.73,-33.39,;32.06,-34.15,;29.4,-34.16,;29.41,-35.7,;30.74,-36.47,;30.75,-38.01,;32.08,-38.78,;33.41,-38.01,;34.76,-38.77,;28.07,-36.48,;26.73,-35.71,;28.07,-38.02,;29.42,-38.79,;29.42,-40.33,;28.08,-41.1,;26.75,-40.33,;28.08,-42.64,;26.75,-43.42,;25.42,-42.65,;24.08,-43.42,;22.74,-42.66,;21.41,-43.43,;20.08,-42.66,;26.76,-44.96,;28.09,-45.73,;25.43,-45.73,;25.43,-47.27,;24.09,-48.05,;24.09,-49.59,;25.44,-50.36,;22.76,-50.36,;22.77,-51.91,;24.1,-52.67,;24.1,-54.22,;25.45,-54.98,;26.78,-54.21,;28.11,-54.98,;21.44,-52.68,;20.1,-51.91,;21.44,-54.22,;22.77,-54.99,;22.78,-56.53,;24.11,-57.3,;24.12,-58.84,;25.45,-56.52,;20.11,-55,;18.76,-54.23,;18.77,-52.69,;17.43,-51.92,;16.1,-52.69,;14.76,-51.93,;16.11,-54.24,;17.44,-55,;24.08,-44.97,;22.75,-45.74,;21.42,-44.97,;20.09,-45.74,;20.09,-47.28,;18.76,-48.06,;21.43,-48.05,;22.76,-47.27,;26.74,-38.79,;25.41,-38.02,;25.41,-36.48,;24.07,-35.71,;22.74,-36.49,;21.4,-35.72,;22.75,-38.04,;24.08,-38.8,;33.38,-28.77,;34.71,-29.53,;34.72,-31.07,;36.05,-31.84,;37.38,-31.07,;38.72,-31.83,;37.37,-29.52,;36.04,-28.76,;26.7,-20.33,;28.03,-19.55,;28.02,-18.01,;29.35,-17.24,;30.69,-18.01,;32.02,-17.23,;30.69,-19.55,;29.37,-20.33,;20.05,-19.58,;20.04,-18.03,;18.71,-17.29,;18.7,-15.75,;20.04,-14.96,;20.03,-13.42,;21.37,-15.74,;21.38,-17.27,;9.36,-23.2,;8.03,-22.44,;6.71,-23.22,;6.73,-24.76,;8.04,-25.51,;9.36,-24.74,;10.71,-25.5,;12.03,-24.72,;13.37,-25.48,;5.38,-25.52,;5.38,-27.06,;4.04,-27.83,;4.04,-24.76,;2.7,-25.52,)| Show InChI InChI=1S/C130H181N21O14/c1-11-144(12-2)103-61-63-107-115(83-103)165-116-84-104(145(13-3)14-4)62-64-108(116)123(107)105-29-15-16-30-106(105)124(158)143-114(36-22-28-76-136)130(164)151(90-102-59-47-96(10)48-60-102)82-70-122(157)142-113(35-21-27-75-135)129(163)150(89-101-57-45-95(9)46-58-101)81-69-121(156)141-112(34-20-26-74-134)128(162)149(88-100-55-43-94(8)44-56-100)80-68-120(155)140-111(33-19-25-73-133)127(161)148(87-99-53-41-93(7)42-54-99)79-67-119(154)139-110(32-18-24-72-132)126(160)147(86-98-51-39-92(6)40-52-98)78-66-118(153)138-109(31-17-23-71-131)125(159)146(77-65-117(137)152)85-97-49-37-91(5)38-50-97/h15-16,29-30,37-64,83-84,109-114H,11-14,17-28,31-36,65-82,85-90,131-136H2,1-10H3,(H7-,137,138,139,140,141,142,143,152,153,154,155,156,157,158)/p+1/t109-,110-,111-,112-,113-,114-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238909
(CHEMBL4062611)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:89.90,47.48,61.62,33.34,wD:75.76,19.20,(18.68,-25.46,;17.36,-24.7,;16.03,-25.47,;16.03,-27.01,;17.36,-27.78,;14.68,-24.7,;14.68,-23.17,;13.35,-22.41,;12.02,-23.18,;10.69,-22.41,;10.68,-20.36,;9.34,-19.6,;9.34,-18.06,;10.67,-17.27,;11.99,-18.05,;11.99,-19.58,;13.32,-20.36,;13.32,-21.91,;14.68,-19.58,;16.03,-20.36,;16.03,-21.91,;17.35,-22.68,;17.35,-24.21,;18.69,-24.98,;20.02,-24.21,;17.37,-19.58,;17.37,-18.01,;18.71,-20.36,;18.72,-21.89,;20.05,-22.65,;21.38,-21.88,;21.38,-20.34,;22.71,-22.65,;24.04,-21.88,;24.04,-20.33,;25.37,-19.55,;25.37,-18.01,;26.7,-17.24,;26.69,-15.71,;25.38,-22.64,;25.38,-24.17,;26.71,-21.87,;28.04,-22.64,;28.04,-24.17,;29.38,-24.93,;30.71,-24.16,;29.38,-26.47,;30.72,-27.24,;32.05,-26.47,;33.37,-27.23,;34.71,-26.46,;36.05,-27.23,;37.37,-26.45,;30.72,-28.77,;29.39,-29.55,;32.05,-29.54,;32.06,-31.08,;30.73,-31.85,;30.73,-33.39,;32.06,-34.15,;29.4,-34.16,;29.41,-35.7,;30.74,-36.47,;30.75,-38.01,;32.08,-38.78,;33.41,-38.01,;34.76,-38.77,;28.07,-36.48,;26.73,-35.71,;28.07,-38.02,;29.42,-38.79,;29.42,-40.33,;28.08,-41.1,;26.75,-40.33,;28.08,-42.64,;26.75,-43.42,;25.42,-42.65,;24.08,-43.42,;22.74,-42.66,;21.41,-43.43,;20.08,-42.66,;26.76,-44.96,;28.09,-45.73,;25.43,-45.73,;25.43,-47.27,;24.09,-48.05,;24.09,-49.59,;25.44,-50.36,;22.76,-50.36,;22.77,-51.91,;24.1,-52.67,;24.1,-54.22,;25.45,-54.98,;26.78,-54.21,;28.11,-54.98,;21.44,-52.68,;20.1,-51.91,;21.44,-54.22,;22.77,-54.99,;22.78,-56.53,;24.11,-57.3,;24.12,-58.84,;25.45,-56.52,;20.11,-55,;18.76,-54.23,;18.77,-52.69,;17.43,-51.92,;16.1,-52.69,;14.76,-51.93,;16.11,-54.24,;17.44,-55,;24.08,-44.97,;22.75,-45.74,;21.42,-44.97,;20.09,-45.74,;20.09,-47.28,;18.76,-48.06,;21.43,-48.05,;22.76,-47.27,;26.74,-38.79,;25.41,-38.02,;25.41,-36.48,;24.07,-35.71,;22.74,-36.49,;21.4,-35.72,;22.75,-38.04,;24.08,-38.8,;33.38,-28.77,;34.71,-29.53,;34.72,-31.07,;36.05,-31.84,;37.38,-31.07,;38.72,-31.83,;37.37,-29.52,;36.04,-28.76,;26.7,-20.33,;28.03,-19.55,;28.02,-18.01,;29.35,-17.24,;30.69,-18.01,;32.02,-17.23,;30.69,-19.55,;29.37,-20.33,;20.05,-19.58,;20.04,-18.03,;18.71,-17.29,;18.7,-15.75,;20.04,-14.96,;20.03,-13.42,;21.37,-15.74,;21.38,-17.27,;9.36,-23.2,;8.03,-22.44,;6.71,-23.22,;6.73,-24.76,;8.04,-25.51,;9.36,-24.74,;10.71,-25.5,;12.03,-24.72,;13.37,-25.48,;5.38,-25.52,;5.38,-27.06,;4.04,-27.83,;4.04,-24.76,;2.7,-25.52,)| Show InChI InChI=1S/C130H181N21O14/c1-11-144(12-2)103-61-63-107-115(83-103)165-116-84-104(145(13-3)14-4)62-64-108(116)123(107)105-29-15-16-30-106(105)124(158)143-114(36-22-28-76-136)130(164)151(90-102-59-47-96(10)48-60-102)82-70-122(157)142-113(35-21-27-75-135)129(163)150(89-101-57-45-95(9)46-58-101)81-69-121(156)141-112(34-20-26-74-134)128(162)149(88-100-55-43-94(8)44-56-100)80-68-120(155)140-111(33-19-25-73-133)127(161)148(87-99-53-41-93(7)42-54-99)79-67-119(154)139-110(32-18-24-72-132)126(160)147(86-98-51-39-92(6)40-52-98)78-66-118(153)138-109(31-17-23-71-131)125(159)146(77-65-117(137)152)85-97-49-37-91(5)38-50-97/h15-16,29-30,37-64,83-84,109-114H,11-14,17-28,31-36,65-82,85-90,131-136H2,1-10H3,(H7-,137,138,139,140,141,142,143,152,153,154,155,156,157,158)/p+1/t109-,110-,111-,112-,113-,114-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238907
(CHEMBL4082093)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,wD:19.20,(18,-35.97,;16.67,-35.2,;16.67,-33.65,;18,-32.88,;19.33,-33.65,;15.32,-32.88,;15.31,-31.36,;13.98,-30.59,;12.66,-31.37,;11.32,-30.6,;11.31,-28.53,;9.96,-27.77,;9.96,-26.23,;11.29,-25.45,;12.63,-26.22,;12.63,-27.76,;13.96,-28.53,;13.96,-30.08,;15.31,-27.76,;16.67,-28.53,;16.67,-30.08,;18,-30.85,;18,-32.39,;19.33,-33.16,;20.67,-32.39,;18.02,-27.76,;18.02,-26.2,;19.36,-28.53,;19.36,-30.07,;20.7,-30.83,;22.03,-30.06,;22.03,-28.52,;23.37,-30.83,;24.7,-30.05,;24.69,-28.51,;26.02,-27.74,;26.02,-26.2,;27.35,-25.43,;27.35,-23.89,;26.03,-30.82,;26.04,-32.36,;27.36,-30.05,;28.7,-30.81,;28.7,-32.35,;30.04,-33.12,;31.37,-32.35,;30.04,-34.66,;31.38,-35.43,;32.71,-34.65,;34.05,-35.42,;35.38,-34.65,;36.71,-35.41,;38.05,-34.64,;31.38,-36.97,;30.05,-37.74,;32.72,-37.73,;32.72,-39.27,;31.39,-40.05,;31.4,-41.59,;30.06,-42.36,;32.73,-42.35,;34.05,-36.96,;35.39,-37.72,;35.39,-39.26,;36.72,-40.03,;38.06,-39.26,;38.05,-37.71,;36.71,-36.95,;27.36,-28.51,;28.69,-27.73,;30.02,-28.5,;31.35,-27.73,;31.35,-26.19,;30.01,-25.42,;28.68,-26.2,;20.69,-27.75,;20.69,-26.21,;22.02,-25.45,;22.02,-23.91,;20.68,-23.14,;19.35,-23.92,;19.36,-25.46,;9.98,-31.38,;8.65,-30.62,;7.33,-31.4,;7.35,-32.94,;8.67,-33.7,;10,-32.92,;11.34,-33.68,;12.66,-32.91,;14,-33.67,;6,-33.71,;4.66,-32.94,;3.33,-33.71,;6,-35.25,;4.66,-36.02,)| Show InChI InChI=1S/C76H100N12O8/c1-5-84(6-2)58-37-39-62-67(50-58)96-68-51-59(85(7-3)8-4)38-40-63(68)72(62)60-32-18-19-33-61(60)73(92)83-66(36-22-25-46-79)76(95)88(54-57-30-16-11-17-31-57)49-43-71(91)82-65(35-21-24-45-78)75(94)87(53-56-28-14-10-15-29-56)48-42-70(90)81-64(34-20-23-44-77)74(93)86(47-41-69(80)89)52-55-26-12-9-13-27-55/h9-19,26-33,37-40,50-51,64-66H,5-8,20-25,34-36,41-49,52-54,77-79H2,1-4H3,(H4-,80,81,82,83,89,90,91,92)/p+1/t64-,65-,66-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238907
(CHEMBL4082093)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,wD:19.20,(18,-35.97,;16.67,-35.2,;16.67,-33.65,;18,-32.88,;19.33,-33.65,;15.32,-32.88,;15.31,-31.36,;13.98,-30.59,;12.66,-31.37,;11.32,-30.6,;11.31,-28.53,;9.96,-27.77,;9.96,-26.23,;11.29,-25.45,;12.63,-26.22,;12.63,-27.76,;13.96,-28.53,;13.96,-30.08,;15.31,-27.76,;16.67,-28.53,;16.67,-30.08,;18,-30.85,;18,-32.39,;19.33,-33.16,;20.67,-32.39,;18.02,-27.76,;18.02,-26.2,;19.36,-28.53,;19.36,-30.07,;20.7,-30.83,;22.03,-30.06,;22.03,-28.52,;23.37,-30.83,;24.7,-30.05,;24.69,-28.51,;26.02,-27.74,;26.02,-26.2,;27.35,-25.43,;27.35,-23.89,;26.03,-30.82,;26.04,-32.36,;27.36,-30.05,;28.7,-30.81,;28.7,-32.35,;30.04,-33.12,;31.37,-32.35,;30.04,-34.66,;31.38,-35.43,;32.71,-34.65,;34.05,-35.42,;35.38,-34.65,;36.71,-35.41,;38.05,-34.64,;31.38,-36.97,;30.05,-37.74,;32.72,-37.73,;32.72,-39.27,;31.39,-40.05,;31.4,-41.59,;30.06,-42.36,;32.73,-42.35,;34.05,-36.96,;35.39,-37.72,;35.39,-39.26,;36.72,-40.03,;38.06,-39.26,;38.05,-37.71,;36.71,-36.95,;27.36,-28.51,;28.69,-27.73,;30.02,-28.5,;31.35,-27.73,;31.35,-26.19,;30.01,-25.42,;28.68,-26.2,;20.69,-27.75,;20.69,-26.21,;22.02,-25.45,;22.02,-23.91,;20.68,-23.14,;19.35,-23.92,;19.36,-25.46,;9.98,-31.38,;8.65,-30.62,;7.33,-31.4,;7.35,-32.94,;8.67,-33.7,;10,-32.92,;11.34,-33.68,;12.66,-32.91,;14,-33.67,;6,-33.71,;4.66,-32.94,;3.33,-33.71,;6,-35.25,;4.66,-36.02,)| Show InChI InChI=1S/C76H100N12O8/c1-5-84(6-2)58-37-39-62-67(50-58)96-68-51-59(85(7-3)8-4)38-40-63(68)72(62)60-32-18-19-33-61(60)73(92)83-66(36-22-25-46-79)76(95)88(54-57-30-16-11-17-31-57)49-43-71(91)82-65(35-21-24-45-78)75(94)87(53-56-28-14-10-15-29-56)48-42-70(90)81-64(34-20-23-44-77)74(93)86(47-41-69(80)89)52-55-26-12-9-13-27-55/h9-19,26-33,37-40,50-51,64-66H,5-8,20-25,34-36,41-49,52-54,77-79H2,1-4H3,(H4-,80,81,82,83,89,90,91,92)/p+1/t64-,65-,66-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238907
(CHEMBL4082093)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,wD:19.20,(18,-35.97,;16.67,-35.2,;16.67,-33.65,;18,-32.88,;19.33,-33.65,;15.32,-32.88,;15.31,-31.36,;13.98,-30.59,;12.66,-31.37,;11.32,-30.6,;11.31,-28.53,;9.96,-27.77,;9.96,-26.23,;11.29,-25.45,;12.63,-26.22,;12.63,-27.76,;13.96,-28.53,;13.96,-30.08,;15.31,-27.76,;16.67,-28.53,;16.67,-30.08,;18,-30.85,;18,-32.39,;19.33,-33.16,;20.67,-32.39,;18.02,-27.76,;18.02,-26.2,;19.36,-28.53,;19.36,-30.07,;20.7,-30.83,;22.03,-30.06,;22.03,-28.52,;23.37,-30.83,;24.7,-30.05,;24.69,-28.51,;26.02,-27.74,;26.02,-26.2,;27.35,-25.43,;27.35,-23.89,;26.03,-30.82,;26.04,-32.36,;27.36,-30.05,;28.7,-30.81,;28.7,-32.35,;30.04,-33.12,;31.37,-32.35,;30.04,-34.66,;31.38,-35.43,;32.71,-34.65,;34.05,-35.42,;35.38,-34.65,;36.71,-35.41,;38.05,-34.64,;31.38,-36.97,;30.05,-37.74,;32.72,-37.73,;32.72,-39.27,;31.39,-40.05,;31.4,-41.59,;30.06,-42.36,;32.73,-42.35,;34.05,-36.96,;35.39,-37.72,;35.39,-39.26,;36.72,-40.03,;38.06,-39.26,;38.05,-37.71,;36.71,-36.95,;27.36,-28.51,;28.69,-27.73,;30.02,-28.5,;31.35,-27.73,;31.35,-26.19,;30.01,-25.42,;28.68,-26.2,;20.69,-27.75,;20.69,-26.21,;22.02,-25.45,;22.02,-23.91,;20.68,-23.14,;19.35,-23.92,;19.36,-25.46,;9.98,-31.38,;8.65,-30.62,;7.33,-31.4,;7.35,-32.94,;8.67,-33.7,;10,-32.92,;11.34,-33.68,;12.66,-32.91,;14,-33.67,;6,-33.71,;4.66,-32.94,;3.33,-33.71,;6,-35.25,;4.66,-36.02,)| Show InChI InChI=1S/C76H100N12O8/c1-5-84(6-2)58-37-39-62-67(50-58)96-68-51-59(85(7-3)8-4)38-40-63(68)72(62)60-32-18-19-33-61(60)73(92)83-66(36-22-25-46-79)76(95)88(54-57-30-16-11-17-31-57)49-43-71(91)82-65(35-21-24-45-78)75(94)87(53-56-28-14-10-15-29-56)48-42-70(90)81-64(34-20-23-44-77)74(93)86(47-41-69(80)89)52-55-26-12-9-13-27-55/h9-19,26-33,37-40,50-51,64-66H,5-8,20-25,34-36,41-49,52-54,77-79H2,1-4H3,(H4-,80,81,82,83,89,90,91,92)/p+1/t64-,65-,66-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238894
(CHEMBL4062488)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)[C@@H](C)c3ccccc3)[C@@H](C)c3ccccc3)[C@@H](C)c3ccccc3)[C@@H](C)c3ccccc3)[C@@H](C)c3ccccc3)[C@@H](C)c3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:47.48,127.131,75.76,111.113,103.104,143.149,wD:19.20,33.34,135.140,61.62,119.122,89.90,(52.48,-50.31,;53.81,-49.54,;53.81,-48,;52.48,-47.23,;51.14,-48,;55.14,-47.23,;55.14,-45.69,;56.48,-44.92,;57.81,-45.69,;59.14,-44.92,;59.14,-43.38,;60.48,-42.61,;60.48,-41.07,;59.14,-40.3,;57.81,-41.07,;57.81,-42.61,;56.48,-43.38,;55.57,-44.63,;55.14,-42.61,;55.14,-41.07,;56.48,-40.3,;56.48,-38.76,;57.81,-37.99,;57.81,-36.45,;59.14,-35.68,;53.81,-40.3,;53.81,-38.76,;52.48,-41.07,;51.14,-40.3,;49.81,-41.07,;48.47,-40.3,;48.5,-38.78,;47.14,-41.07,;45.81,-40.3,;45.81,-38.76,;47.14,-37.99,;47.14,-36.45,;48.47,-35.68,;48.47,-34.14,;44.47,-41.07,;44.47,-42.61,;43.14,-40.3,;41.81,-41.07,;40.47,-40.3,;39.14,-41.07,;39.14,-42.61,;37.81,-40.3,;36.47,-41.07,;36.47,-42.61,;37.81,-43.38,;37.81,-44.92,;39.14,-45.69,;39.14,-47.23,;35.14,-40.3,;35.14,-38.76,;33.8,-41.07,;32.47,-40.3,;31.14,-41.07,;29.8,-40.3,;29.8,-38.76,;28.47,-41.07,;27.14,-40.3,;27.14,-38.76,;25.8,-37.99,;25.8,-36.45,;24.47,-35.68,;24.47,-34.14,;25.8,-41.07,;25.8,-42.61,;24.47,-40.3,;23.13,-41.07,;21.8,-40.3,;20.47,-41.07,;20.47,-42.61,;19.13,-40.3,;17.8,-41.07,;17.8,-42.61,;19.13,-43.38,;19.13,-44.92,;20.47,-45.69,;20.47,-47.23,;16.47,-40.3,;16.47,-38.76,;15.13,-41.07,;13.8,-40.3,;12.47,-41.07,;11.13,-40.3,;11.13,-38.76,;9.8,-41.07,;8.46,-40.3,;8.46,-38.76,;7.13,-37.99,;7.13,-36.45,;5.8,-35.68,;5.8,-34.14,;7.13,-41.07,;7.13,-42.61,;5.8,-40.3,;5.8,-38.76,;4.46,-37.99,;4.46,-36.45,;3.13,-35.68,;5.09,-35.04,;4.46,-41.07,;4.46,-42.61,;3.13,-40.3,;1.8,-41.07,;.46,-40.3,;.46,-38.76,;1.8,-37.99,;3.13,-38.76,;15.13,-42.61,;16.47,-43.38,;13.8,-43.38,;13.8,-44.92,;12.47,-45.69,;11.13,-44.92,;11.13,-43.38,;12.47,-42.61,;24.47,-38.76,;24.43,-37.08,;23.13,-37.99,;21.8,-38.76,;20.47,-37.99,;20.47,-36.45,;21.8,-35.68,;23.13,-36.45,;33.8,-42.61,;35.14,-43.38,;32.47,-43.38,;32.47,-44.92,;31.14,-45.69,;29.8,-44.92,;29.8,-43.38,;31.14,-42.61,;43.14,-38.76,;44.47,-37.99,;41.81,-37.99,;40.47,-38.76,;39.14,-37.99,;39.14,-36.45,;40.47,-35.68,;41.81,-36.45,;52.48,-42.61,;53.81,-43.38,;51.14,-43.38,;51.14,-44.92,;49.81,-45.69,;48.47,-44.92,;48.47,-43.38,;49.81,-42.61,;60.48,-45.69,;61.81,-44.92,;63.14,-45.69,;63.14,-47.23,;61.81,-48,;60.48,-47.23,;59.14,-48,;57.81,-47.23,;56.48,-48,;64.48,-48,;64.48,-49.54,;65.81,-50.31,;65.81,-47.23,;67.15,-48,)| Show InChI InChI=1S/C130H181N21O14/c1-11-144(12-2)103-67-69-107-115(89-103)165-116-90-104(145(13-3)14-4)68-70-108(116)123(107)105-59-33-34-60-106(105)124(158)143-114(66-40-46-82-136)130(164)151(96(10)102-57-31-20-32-58-102)88-76-122(157)142-113(65-39-45-81-135)129(163)150(95(9)101-55-29-19-30-56-101)87-75-121(156)141-112(64-38-44-80-134)128(162)149(94(8)100-53-27-18-28-54-100)86-74-120(155)140-111(63-37-43-79-133)127(161)148(93(7)99-51-25-17-26-52-99)85-73-119(154)139-110(62-36-42-78-132)126(160)147(92(6)98-49-23-16-24-50-98)84-72-118(153)138-109(61-35-41-77-131)125(159)146(83-71-117(137)152)91(5)97-47-21-15-22-48-97/h15-34,47-60,67-70,89-96,109-114H,11-14,35-46,61-66,71-88,131-136H2,1-10H3,(H7-,137,138,139,140,141,142,143,152,153,154,155,156,157,158)/p+1/t91-,92-,93-,94-,95-,96-,109-,110-,111-,112-,113-,114-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238894
(CHEMBL4062488)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)[C@@H](C)c3ccccc3)[C@@H](C)c3ccccc3)[C@@H](C)c3ccccc3)[C@@H](C)c3ccccc3)[C@@H](C)c3ccccc3)[C@@H](C)c3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:47.48,127.131,75.76,111.113,103.104,143.149,wD:19.20,33.34,135.140,61.62,119.122,89.90,(52.48,-50.31,;53.81,-49.54,;53.81,-48,;52.48,-47.23,;51.14,-48,;55.14,-47.23,;55.14,-45.69,;56.48,-44.92,;57.81,-45.69,;59.14,-44.92,;59.14,-43.38,;60.48,-42.61,;60.48,-41.07,;59.14,-40.3,;57.81,-41.07,;57.81,-42.61,;56.48,-43.38,;55.57,-44.63,;55.14,-42.61,;55.14,-41.07,;56.48,-40.3,;56.48,-38.76,;57.81,-37.99,;57.81,-36.45,;59.14,-35.68,;53.81,-40.3,;53.81,-38.76,;52.48,-41.07,;51.14,-40.3,;49.81,-41.07,;48.47,-40.3,;48.5,-38.78,;47.14,-41.07,;45.81,-40.3,;45.81,-38.76,;47.14,-37.99,;47.14,-36.45,;48.47,-35.68,;48.47,-34.14,;44.47,-41.07,;44.47,-42.61,;43.14,-40.3,;41.81,-41.07,;40.47,-40.3,;39.14,-41.07,;39.14,-42.61,;37.81,-40.3,;36.47,-41.07,;36.47,-42.61,;37.81,-43.38,;37.81,-44.92,;39.14,-45.69,;39.14,-47.23,;35.14,-40.3,;35.14,-38.76,;33.8,-41.07,;32.47,-40.3,;31.14,-41.07,;29.8,-40.3,;29.8,-38.76,;28.47,-41.07,;27.14,-40.3,;27.14,-38.76,;25.8,-37.99,;25.8,-36.45,;24.47,-35.68,;24.47,-34.14,;25.8,-41.07,;25.8,-42.61,;24.47,-40.3,;23.13,-41.07,;21.8,-40.3,;20.47,-41.07,;20.47,-42.61,;19.13,-40.3,;17.8,-41.07,;17.8,-42.61,;19.13,-43.38,;19.13,-44.92,;20.47,-45.69,;20.47,-47.23,;16.47,-40.3,;16.47,-38.76,;15.13,-41.07,;13.8,-40.3,;12.47,-41.07,;11.13,-40.3,;11.13,-38.76,;9.8,-41.07,;8.46,-40.3,;8.46,-38.76,;7.13,-37.99,;7.13,-36.45,;5.8,-35.68,;5.8,-34.14,;7.13,-41.07,;7.13,-42.61,;5.8,-40.3,;5.8,-38.76,;4.46,-37.99,;4.46,-36.45,;3.13,-35.68,;5.09,-35.04,;4.46,-41.07,;4.46,-42.61,;3.13,-40.3,;1.8,-41.07,;.46,-40.3,;.46,-38.76,;1.8,-37.99,;3.13,-38.76,;15.13,-42.61,;16.47,-43.38,;13.8,-43.38,;13.8,-44.92,;12.47,-45.69,;11.13,-44.92,;11.13,-43.38,;12.47,-42.61,;24.47,-38.76,;24.43,-37.08,;23.13,-37.99,;21.8,-38.76,;20.47,-37.99,;20.47,-36.45,;21.8,-35.68,;23.13,-36.45,;33.8,-42.61,;35.14,-43.38,;32.47,-43.38,;32.47,-44.92,;31.14,-45.69,;29.8,-44.92,;29.8,-43.38,;31.14,-42.61,;43.14,-38.76,;44.47,-37.99,;41.81,-37.99,;40.47,-38.76,;39.14,-37.99,;39.14,-36.45,;40.47,-35.68,;41.81,-36.45,;52.48,-42.61,;53.81,-43.38,;51.14,-43.38,;51.14,-44.92,;49.81,-45.69,;48.47,-44.92,;48.47,-43.38,;49.81,-42.61,;60.48,-45.69,;61.81,-44.92,;63.14,-45.69,;63.14,-47.23,;61.81,-48,;60.48,-47.23,;59.14,-48,;57.81,-47.23,;56.48,-48,;64.48,-48,;64.48,-49.54,;65.81,-50.31,;65.81,-47.23,;67.15,-48,)| Show InChI InChI=1S/C130H181N21O14/c1-11-144(12-2)103-67-69-107-115(89-103)165-116-90-104(145(13-3)14-4)68-70-108(116)123(107)105-59-33-34-60-106(105)124(158)143-114(66-40-46-82-136)130(164)151(96(10)102-57-31-20-32-58-102)88-76-122(157)142-113(65-39-45-81-135)129(163)150(95(9)101-55-29-19-30-56-101)87-75-121(156)141-112(64-38-44-80-134)128(162)149(94(8)100-53-27-18-28-54-100)86-74-120(155)140-111(63-37-43-79-133)127(161)148(93(7)99-51-25-17-26-52-99)85-73-119(154)139-110(62-36-42-78-132)126(160)147(92(6)98-49-23-16-24-50-98)84-72-118(153)138-109(61-35-41-77-131)125(159)146(83-71-117(137)152)91(5)97-47-21-15-22-48-97/h15-34,47-60,67-70,89-96,109-114H,11-14,35-46,61-66,71-88,131-136H2,1-10H3,(H7-,137,138,139,140,141,142,143,152,153,154,155,156,157,158)/p+1/t91-,92-,93-,94-,95-,96-,109-,110-,111-,112-,113-,114-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238894
(CHEMBL4062488)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)[C@@H](C)c3ccccc3)[C@@H](C)c3ccccc3)[C@@H](C)c3ccccc3)[C@@H](C)c3ccccc3)[C@@H](C)c3ccccc3)[C@@H](C)c3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:47.48,127.131,75.76,111.113,103.104,143.149,wD:19.20,33.34,135.140,61.62,119.122,89.90,(52.48,-50.31,;53.81,-49.54,;53.81,-48,;52.48,-47.23,;51.14,-48,;55.14,-47.23,;55.14,-45.69,;56.48,-44.92,;57.81,-45.69,;59.14,-44.92,;59.14,-43.38,;60.48,-42.61,;60.48,-41.07,;59.14,-40.3,;57.81,-41.07,;57.81,-42.61,;56.48,-43.38,;55.57,-44.63,;55.14,-42.61,;55.14,-41.07,;56.48,-40.3,;56.48,-38.76,;57.81,-37.99,;57.81,-36.45,;59.14,-35.68,;53.81,-40.3,;53.81,-38.76,;52.48,-41.07,;51.14,-40.3,;49.81,-41.07,;48.47,-40.3,;48.5,-38.78,;47.14,-41.07,;45.81,-40.3,;45.81,-38.76,;47.14,-37.99,;47.14,-36.45,;48.47,-35.68,;48.47,-34.14,;44.47,-41.07,;44.47,-42.61,;43.14,-40.3,;41.81,-41.07,;40.47,-40.3,;39.14,-41.07,;39.14,-42.61,;37.81,-40.3,;36.47,-41.07,;36.47,-42.61,;37.81,-43.38,;37.81,-44.92,;39.14,-45.69,;39.14,-47.23,;35.14,-40.3,;35.14,-38.76,;33.8,-41.07,;32.47,-40.3,;31.14,-41.07,;29.8,-40.3,;29.8,-38.76,;28.47,-41.07,;27.14,-40.3,;27.14,-38.76,;25.8,-37.99,;25.8,-36.45,;24.47,-35.68,;24.47,-34.14,;25.8,-41.07,;25.8,-42.61,;24.47,-40.3,;23.13,-41.07,;21.8,-40.3,;20.47,-41.07,;20.47,-42.61,;19.13,-40.3,;17.8,-41.07,;17.8,-42.61,;19.13,-43.38,;19.13,-44.92,;20.47,-45.69,;20.47,-47.23,;16.47,-40.3,;16.47,-38.76,;15.13,-41.07,;13.8,-40.3,;12.47,-41.07,;11.13,-40.3,;11.13,-38.76,;9.8,-41.07,;8.46,-40.3,;8.46,-38.76,;7.13,-37.99,;7.13,-36.45,;5.8,-35.68,;5.8,-34.14,;7.13,-41.07,;7.13,-42.61,;5.8,-40.3,;5.8,-38.76,;4.46,-37.99,;4.46,-36.45,;3.13,-35.68,;5.09,-35.04,;4.46,-41.07,;4.46,-42.61,;3.13,-40.3,;1.8,-41.07,;.46,-40.3,;.46,-38.76,;1.8,-37.99,;3.13,-38.76,;15.13,-42.61,;16.47,-43.38,;13.8,-43.38,;13.8,-44.92,;12.47,-45.69,;11.13,-44.92,;11.13,-43.38,;12.47,-42.61,;24.47,-38.76,;24.43,-37.08,;23.13,-37.99,;21.8,-38.76,;20.47,-37.99,;20.47,-36.45,;21.8,-35.68,;23.13,-36.45,;33.8,-42.61,;35.14,-43.38,;32.47,-43.38,;32.47,-44.92,;31.14,-45.69,;29.8,-44.92,;29.8,-43.38,;31.14,-42.61,;43.14,-38.76,;44.47,-37.99,;41.81,-37.99,;40.47,-38.76,;39.14,-37.99,;39.14,-36.45,;40.47,-35.68,;41.81,-36.45,;52.48,-42.61,;53.81,-43.38,;51.14,-43.38,;51.14,-44.92,;49.81,-45.69,;48.47,-44.92,;48.47,-43.38,;49.81,-42.61,;60.48,-45.69,;61.81,-44.92,;63.14,-45.69,;63.14,-47.23,;61.81,-48,;60.48,-47.23,;59.14,-48,;57.81,-47.23,;56.48,-48,;64.48,-48,;64.48,-49.54,;65.81,-50.31,;65.81,-47.23,;67.15,-48,)| Show InChI InChI=1S/C130H181N21O14/c1-11-144(12-2)103-67-69-107-115(89-103)165-116-90-104(145(13-3)14-4)68-70-108(116)123(107)105-59-33-34-60-106(105)124(158)143-114(66-40-46-82-136)130(164)151(96(10)102-57-31-20-32-58-102)88-76-122(157)142-113(65-39-45-81-135)129(163)150(95(9)101-55-29-19-30-56-101)87-75-121(156)141-112(64-38-44-80-134)128(162)149(94(8)100-53-27-18-28-54-100)86-74-120(155)140-111(63-37-43-79-133)127(161)148(93(7)99-51-25-17-26-52-99)85-73-119(154)139-110(62-36-42-78-132)126(160)147(92(6)98-49-23-16-24-50-98)84-72-118(153)138-109(61-35-41-77-131)125(159)146(83-71-117(137)152)91(5)97-47-21-15-22-48-97/h15-34,47-60,67-70,89-96,109-114H,11-14,35-46,61-66,71-88,131-136H2,1-10H3,(H7-,137,138,139,140,141,142,143,152,153,154,155,156,157,158)/p+1/t91-,92-,93-,94-,95-,96-,109-,110-,111-,112-,113-,114-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238901
(CHEMBL4072333)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,89.90,wD:19.20,75.76,103.104,(13.98,-17.41,;12.65,-16.65,;12.65,-15.1,;13.98,-14.33,;15.3,-15.1,;11.3,-14.33,;11.29,-12.81,;9.97,-12.05,;8.65,-12.82,;7.31,-12.05,;7.31,-10,;5.96,-9.24,;5.96,-7.7,;7.29,-6.93,;8.62,-7.69,;8.62,-9.22,;9.95,-9.99,;9.95,-11.55,;11.3,-9.22,;12.65,-9.99,;12.65,-11.55,;13.97,-12.31,;13.97,-13.85,;15.31,-14.61,;16.63,-13.85,;13.99,-9.22,;13.99,-7.67,;15.33,-9.99,;15.34,-11.53,;16.66,-12.29,;17.99,-11.52,;18,-9.98,;19.33,-12.29,;20.65,-11.52,;20.65,-9.97,;21.98,-9.21,;21.98,-7.67,;23.31,-6.9,;23.3,-5.36,;21.99,-12.28,;21.99,-13.81,;23.32,-11.5,;24.65,-12.27,;24.65,-13.81,;25.99,-14.57,;27.32,-13.8,;25.99,-16.1,;27.32,-16.87,;28.65,-16.1,;29.98,-16.86,;31.31,-16.09,;32.65,-16.86,;33.97,-16.09,;27.33,-18.41,;26,-19.18,;28.66,-19.17,;28.66,-20.71,;27.33,-21.48,;27.34,-23.01,;28.67,-23.78,;26.01,-23.79,;26.01,-25.33,;27.35,-26.09,;27.35,-27.63,;28.69,-28.4,;30.02,-27.63,;31.35,-28.39,;24.68,-26.1,;23.34,-25.33,;24.68,-27.64,;26.02,-28.41,;26.02,-29.95,;24.69,-30.72,;23.36,-29.95,;24.69,-32.26,;23.36,-33.03,;22.03,-32.27,;20.7,-33.04,;19.36,-32.27,;18.03,-33.05,;16.69,-32.28,;23.37,-34.57,;24.7,-35.34,;22.03,-35.35,;22.04,-36.89,;20.71,-37.66,;20.71,-39.2,;22.05,-39.97,;19.38,-39.97,;19.38,-41.51,;20.72,-42.28,;20.72,-43.82,;22.06,-44.59,;23.39,-43.81,;24.72,-44.58,;18.05,-42.29,;16.71,-41.52,;18.05,-43.83,;19.39,-44.59,;19.39,-46.13,;20.73,-46.9,;22.06,-46.13,;20.73,-48.44,;19.4,-49.22,;18.06,-48.45,;16.73,-49.22,;15.4,-48.45,;14.06,-49.23,;12.73,-48.46,;19.4,-50.76,;20.74,-51.52,;18.07,-51.53,;18.08,-53.07,;19.41,-53.84,;19.41,-55.38,;20.75,-56.14,;18.08,-56.15,;16.74,-50.76,;15.4,-51.53,;14.07,-50.76,;12.74,-51.53,;12.74,-53.07,;14.09,-53.84,;15.41,-53.07,;16.72,-44.6,;15.39,-43.83,;15.39,-42.29,;14.05,-41.53,;12.72,-42.3,;12.73,-43.85,;14.06,-44.61,;20.7,-34.58,;19.37,-35.35,;18.03,-34.58,;16.7,-35.35,;16.7,-36.9,;18.05,-37.66,;19.37,-36.89,;23.35,-28.41,;22.02,-27.65,;22.02,-26.11,;20.69,-25.34,;19.35,-26.11,;19.36,-27.66,;20.7,-28.42,;29.99,-18.4,;31.31,-19.17,;31.32,-20.7,;32.65,-21.47,;33.98,-20.69,;33.97,-19.15,;32.64,-18.39,;23.31,-9.97,;24.64,-9.2,;25.97,-9.97,;27.3,-9.2,;27.29,-7.66,;25.95,-6.9,;24.63,-7.67,;16.66,-9.22,;16.65,-7.68,;17.99,-6.92,;17.99,-5.38,;16.65,-4.62,;15.32,-5.4,;15.33,-6.93,;5.98,-12.84,;4.66,-12.08,;3.34,-12.86,;3.36,-14.39,;4.67,-15.15,;5.99,-14.37,;7.34,-15.14,;8.66,-14.36,;9.99,-15.12,;2.01,-15.16,;.67,-14.39,;-.67,-15.16,;2.01,-16.69,;.67,-17.46,)| Show InChI InChI=1S/C140H192N24O16/c1-5-156(6-2)110-69-71-114-123(94-110)180-124-95-111(157(7-3)8-4)70-72-115(124)132(114)112-60-30-31-61-113(112)133(172)155-122(68-38-45-86-147)140(179)164(102-109-58-28-15-29-59-109)93-79-131(171)154-121(67-37-44-85-146)139(178)163(101-108-56-26-14-27-57-108)92-78-130(170)153-120(66-36-43-84-145)138(177)162(100-107-54-24-13-25-55-107)91-77-129(169)152-119(65-35-42-83-144)137(176)161(99-106-52-22-12-23-53-106)90-76-128(168)151-118(64-34-41-82-143)136(175)160(98-105-50-20-11-21-51-105)89-75-127(167)150-117(63-33-40-81-142)135(174)159(97-104-48-18-10-19-49-104)88-74-126(166)149-116(62-32-39-80-141)134(173)158(87-73-125(148)165)96-103-46-16-9-17-47-103/h9-31,46-61,69-72,94-95,116-122H,5-8,32-45,62-68,73-93,96-102,141-147H2,1-4H3,(H8-,148,149,150,151,152,153,154,155,165,166,167,168,169,170,171,172)/p+1/t116-,117-,118-,119-,120-,121-,122-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Opioid receptor mu 2 affinity against the receptor site model site 2(mu2) |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238901
(CHEMBL4072333)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,89.90,wD:19.20,75.76,103.104,(13.98,-17.41,;12.65,-16.65,;12.65,-15.1,;13.98,-14.33,;15.3,-15.1,;11.3,-14.33,;11.29,-12.81,;9.97,-12.05,;8.65,-12.82,;7.31,-12.05,;7.31,-10,;5.96,-9.24,;5.96,-7.7,;7.29,-6.93,;8.62,-7.69,;8.62,-9.22,;9.95,-9.99,;9.95,-11.55,;11.3,-9.22,;12.65,-9.99,;12.65,-11.55,;13.97,-12.31,;13.97,-13.85,;15.31,-14.61,;16.63,-13.85,;13.99,-9.22,;13.99,-7.67,;15.33,-9.99,;15.34,-11.53,;16.66,-12.29,;17.99,-11.52,;18,-9.98,;19.33,-12.29,;20.65,-11.52,;20.65,-9.97,;21.98,-9.21,;21.98,-7.67,;23.31,-6.9,;23.3,-5.36,;21.99,-12.28,;21.99,-13.81,;23.32,-11.5,;24.65,-12.27,;24.65,-13.81,;25.99,-14.57,;27.32,-13.8,;25.99,-16.1,;27.32,-16.87,;28.65,-16.1,;29.98,-16.86,;31.31,-16.09,;32.65,-16.86,;33.97,-16.09,;27.33,-18.41,;26,-19.18,;28.66,-19.17,;28.66,-20.71,;27.33,-21.48,;27.34,-23.01,;28.67,-23.78,;26.01,-23.79,;26.01,-25.33,;27.35,-26.09,;27.35,-27.63,;28.69,-28.4,;30.02,-27.63,;31.35,-28.39,;24.68,-26.1,;23.34,-25.33,;24.68,-27.64,;26.02,-28.41,;26.02,-29.95,;24.69,-30.72,;23.36,-29.95,;24.69,-32.26,;23.36,-33.03,;22.03,-32.27,;20.7,-33.04,;19.36,-32.27,;18.03,-33.05,;16.69,-32.28,;23.37,-34.57,;24.7,-35.34,;22.03,-35.35,;22.04,-36.89,;20.71,-37.66,;20.71,-39.2,;22.05,-39.97,;19.38,-39.97,;19.38,-41.51,;20.72,-42.28,;20.72,-43.82,;22.06,-44.59,;23.39,-43.81,;24.72,-44.58,;18.05,-42.29,;16.71,-41.52,;18.05,-43.83,;19.39,-44.59,;19.39,-46.13,;20.73,-46.9,;22.06,-46.13,;20.73,-48.44,;19.4,-49.22,;18.06,-48.45,;16.73,-49.22,;15.4,-48.45,;14.06,-49.23,;12.73,-48.46,;19.4,-50.76,;20.74,-51.52,;18.07,-51.53,;18.08,-53.07,;19.41,-53.84,;19.41,-55.38,;20.75,-56.14,;18.08,-56.15,;16.74,-50.76,;15.4,-51.53,;14.07,-50.76,;12.74,-51.53,;12.74,-53.07,;14.09,-53.84,;15.41,-53.07,;16.72,-44.6,;15.39,-43.83,;15.39,-42.29,;14.05,-41.53,;12.72,-42.3,;12.73,-43.85,;14.06,-44.61,;20.7,-34.58,;19.37,-35.35,;18.03,-34.58,;16.7,-35.35,;16.7,-36.9,;18.05,-37.66,;19.37,-36.89,;23.35,-28.41,;22.02,-27.65,;22.02,-26.11,;20.69,-25.34,;19.35,-26.11,;19.36,-27.66,;20.7,-28.42,;29.99,-18.4,;31.31,-19.17,;31.32,-20.7,;32.65,-21.47,;33.98,-20.69,;33.97,-19.15,;32.64,-18.39,;23.31,-9.97,;24.64,-9.2,;25.97,-9.97,;27.3,-9.2,;27.29,-7.66,;25.95,-6.9,;24.63,-7.67,;16.66,-9.22,;16.65,-7.68,;17.99,-6.92,;17.99,-5.38,;16.65,-4.62,;15.32,-5.4,;15.33,-6.93,;5.98,-12.84,;4.66,-12.08,;3.34,-12.86,;3.36,-14.39,;4.67,-15.15,;5.99,-14.37,;7.34,-15.14,;8.66,-14.36,;9.99,-15.12,;2.01,-15.16,;.67,-14.39,;-.67,-15.16,;2.01,-16.69,;.67,-17.46,)| Show InChI InChI=1S/C140H192N24O16/c1-5-156(6-2)110-69-71-114-123(94-110)180-124-95-111(157(7-3)8-4)70-72-115(124)132(114)112-60-30-31-61-113(112)133(172)155-122(68-38-45-86-147)140(179)164(102-109-58-28-15-29-59-109)93-79-131(171)154-121(67-37-44-85-146)139(178)163(101-108-56-26-14-27-57-108)92-78-130(170)153-120(66-36-43-84-145)138(177)162(100-107-54-24-13-25-55-107)91-77-129(169)152-119(65-35-42-83-144)137(176)161(99-106-52-22-12-23-53-106)90-76-128(168)151-118(64-34-41-82-143)136(175)160(98-105-50-20-11-21-51-105)89-75-127(167)150-117(63-33-40-81-142)135(174)159(97-104-48-18-10-19-49-104)88-74-126(166)149-116(62-32-39-80-141)134(173)158(87-73-125(148)165)96-103-46-16-9-17-47-103/h9-31,46-61,69-72,94-95,116-122H,5-8,32-45,62-68,73-93,96-102,141-147H2,1-4H3,(H8-,148,149,150,151,152,153,154,155,165,166,167,168,169,170,171,172)/p+1/t116-,117-,118-,119-,120-,121-,122-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Opioid receptor mu 2 affinity against the receptor site model site 2(mu2) |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238901
(CHEMBL4072333)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,89.90,wD:19.20,75.76,103.104,(13.98,-17.41,;12.65,-16.65,;12.65,-15.1,;13.98,-14.33,;15.3,-15.1,;11.3,-14.33,;11.29,-12.81,;9.97,-12.05,;8.65,-12.82,;7.31,-12.05,;7.31,-10,;5.96,-9.24,;5.96,-7.7,;7.29,-6.93,;8.62,-7.69,;8.62,-9.22,;9.95,-9.99,;9.95,-11.55,;11.3,-9.22,;12.65,-9.99,;12.65,-11.55,;13.97,-12.31,;13.97,-13.85,;15.31,-14.61,;16.63,-13.85,;13.99,-9.22,;13.99,-7.67,;15.33,-9.99,;15.34,-11.53,;16.66,-12.29,;17.99,-11.52,;18,-9.98,;19.33,-12.29,;20.65,-11.52,;20.65,-9.97,;21.98,-9.21,;21.98,-7.67,;23.31,-6.9,;23.3,-5.36,;21.99,-12.28,;21.99,-13.81,;23.32,-11.5,;24.65,-12.27,;24.65,-13.81,;25.99,-14.57,;27.32,-13.8,;25.99,-16.1,;27.32,-16.87,;28.65,-16.1,;29.98,-16.86,;31.31,-16.09,;32.65,-16.86,;33.97,-16.09,;27.33,-18.41,;26,-19.18,;28.66,-19.17,;28.66,-20.71,;27.33,-21.48,;27.34,-23.01,;28.67,-23.78,;26.01,-23.79,;26.01,-25.33,;27.35,-26.09,;27.35,-27.63,;28.69,-28.4,;30.02,-27.63,;31.35,-28.39,;24.68,-26.1,;23.34,-25.33,;24.68,-27.64,;26.02,-28.41,;26.02,-29.95,;24.69,-30.72,;23.36,-29.95,;24.69,-32.26,;23.36,-33.03,;22.03,-32.27,;20.7,-33.04,;19.36,-32.27,;18.03,-33.05,;16.69,-32.28,;23.37,-34.57,;24.7,-35.34,;22.03,-35.35,;22.04,-36.89,;20.71,-37.66,;20.71,-39.2,;22.05,-39.97,;19.38,-39.97,;19.38,-41.51,;20.72,-42.28,;20.72,-43.82,;22.06,-44.59,;23.39,-43.81,;24.72,-44.58,;18.05,-42.29,;16.71,-41.52,;18.05,-43.83,;19.39,-44.59,;19.39,-46.13,;20.73,-46.9,;22.06,-46.13,;20.73,-48.44,;19.4,-49.22,;18.06,-48.45,;16.73,-49.22,;15.4,-48.45,;14.06,-49.23,;12.73,-48.46,;19.4,-50.76,;20.74,-51.52,;18.07,-51.53,;18.08,-53.07,;19.41,-53.84,;19.41,-55.38,;20.75,-56.14,;18.08,-56.15,;16.74,-50.76,;15.4,-51.53,;14.07,-50.76,;12.74,-51.53,;12.74,-53.07,;14.09,-53.84,;15.41,-53.07,;16.72,-44.6,;15.39,-43.83,;15.39,-42.29,;14.05,-41.53,;12.72,-42.3,;12.73,-43.85,;14.06,-44.61,;20.7,-34.58,;19.37,-35.35,;18.03,-34.58,;16.7,-35.35,;16.7,-36.9,;18.05,-37.66,;19.37,-36.89,;23.35,-28.41,;22.02,-27.65,;22.02,-26.11,;20.69,-25.34,;19.35,-26.11,;19.36,-27.66,;20.7,-28.42,;29.99,-18.4,;31.31,-19.17,;31.32,-20.7,;32.65,-21.47,;33.98,-20.69,;33.97,-19.15,;32.64,-18.39,;23.31,-9.97,;24.64,-9.2,;25.97,-9.97,;27.3,-9.2,;27.29,-7.66,;25.95,-6.9,;24.63,-7.67,;16.66,-9.22,;16.65,-7.68,;17.99,-6.92,;17.99,-5.38,;16.65,-4.62,;15.32,-5.4,;15.33,-6.93,;5.98,-12.84,;4.66,-12.08,;3.34,-12.86,;3.36,-14.39,;4.67,-15.15,;5.99,-14.37,;7.34,-15.14,;8.66,-14.36,;9.99,-15.12,;2.01,-15.16,;.67,-14.39,;-.67,-15.16,;2.01,-16.69,;.67,-17.46,)| Show InChI InChI=1S/C140H192N24O16/c1-5-156(6-2)110-69-71-114-123(94-110)180-124-95-111(157(7-3)8-4)70-72-115(124)132(114)112-60-30-31-61-113(112)133(172)155-122(68-38-45-86-147)140(179)164(102-109-58-28-15-29-59-109)93-79-131(171)154-121(67-37-44-85-146)139(178)163(101-108-56-26-14-27-57-108)92-78-130(170)153-120(66-36-43-84-145)138(177)162(100-107-54-24-13-25-55-107)91-77-129(169)152-119(65-35-42-83-144)137(176)161(99-106-52-22-12-23-53-106)90-76-128(168)151-118(64-34-41-82-143)136(175)160(98-105-50-20-11-21-51-105)89-75-127(167)150-117(63-33-40-81-142)135(174)159(97-104-48-18-10-19-49-104)88-74-126(166)149-116(62-32-39-80-141)134(173)158(87-73-125(148)165)96-103-46-16-9-17-47-103/h9-31,46-61,69-72,94-95,116-122H,5-8,32-45,62-68,73-93,96-102,141-147H2,1-4H3,(H8-,148,149,150,151,152,153,154,155,165,166,167,168,169,170,171,172)/p+1/t116-,117-,118-,119-,120-,121-,122-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Opioid receptor mu 2 affinity against the receptor site model site 2(mu2) |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50098189
(CHEMBL3588930)Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C27H28N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,30-31H,6-7,10-14H2,1H3/t21?,25-,26?,27+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238908
(CHEMBL4073052)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,89.90,wD:19.20,75.76,103.104,117.118,(13.82,-8.19,;12.49,-7.43,;12.49,-5.88,;13.82,-5.12,;15.14,-5.88,;11.14,-5.12,;11.13,-3.59,;9.81,-2.83,;8.49,-3.6,;7.15,-2.84,;7.14,-.78,;5.8,-.02,;5.8,1.52,;7.13,2.3,;8.45,1.52,;8.45,-0,;9.78,-.78,;9.78,-2.33,;11.14,-0,;12.49,-.78,;12.49,-2.33,;13.81,-3.1,;13.81,-4.63,;15.14,-5.4,;16.47,-4.63,;13.83,-0,;13.83,1.56,;15.17,-.78,;15.17,-2.31,;16.5,-3.07,;17.83,-2.3,;17.83,-.77,;19.17,-3.07,;20.49,-2.3,;20.49,-.76,;21.82,.02,;21.81,1.56,;23.14,2.33,;23.14,3.86,;21.82,-3.06,;21.83,-4.59,;23.15,-2.29,;24.48,-3.06,;24.49,-4.59,;25.82,-5.35,;27.15,-4.58,;25.82,-6.89,;27.16,-7.65,;28.49,-6.88,;29.81,-7.64,;31.14,-6.87,;32.48,-7.64,;33.8,-6.87,;27.16,-9.19,;25.83,-9.96,;28.49,-9.95,;28.5,-11.49,;27.17,-12.26,;27.17,-13.8,;28.5,-14.56,;25.84,-14.57,;25.85,-16.11,;27.18,-16.87,;27.19,-18.41,;28.52,-19.18,;29.85,-18.41,;31.19,-19.18,;24.51,-16.88,;23.18,-16.11,;24.52,-18.42,;25.85,-19.19,;25.86,-20.73,;24.53,-21.5,;23.19,-20.73,;24.53,-23.04,;23.2,-23.81,;21.86,-23.05,;20.53,-23.82,;19.19,-23.05,;17.86,-23.83,;16.53,-23.06,;23.2,-25.35,;24.54,-26.12,;21.87,-26.13,;21.87,-27.67,;20.54,-28.44,;20.54,-29.98,;21.88,-30.75,;19.21,-30.75,;19.22,-32.29,;20.55,-33.06,;20.56,-34.6,;21.89,-35.37,;23.22,-34.59,;24.56,-35.36,;17.88,-33.07,;16.55,-32.3,;17.89,-34.61,;19.22,-35.37,;19.23,-36.91,;20.56,-37.68,;21.9,-36.91,;20.57,-39.22,;19.24,-39.99,;17.9,-39.23,;16.57,-40,;15.23,-39.23,;13.9,-40.01,;12.56,-39.24,;19.24,-41.53,;20.57,-42.3,;17.91,-42.31,;17.91,-43.85,;19.25,-44.61,;19.25,-46.15,;17.92,-46.93,;20.59,-46.92,;20.59,-48.46,;19.26,-49.23,;17.92,-48.47,;16.59,-49.24,;15.25,-48.47,;13.92,-49.25,;21.92,-49.23,;23.26,-48.46,;21.93,-50.77,;23.26,-51.54,;24.6,-50.76,;25.93,-51.53,;27.26,-50.76,;25.93,-53.07,;20.6,-51.54,;20.6,-53.08,;19.27,-53.85,;19.27,-55.38,;20.61,-56.15,;21.94,-55.37,;21.93,-53.83,;16.57,-41.54,;15.24,-42.31,;13.91,-41.54,;12.58,-42.31,;12.58,-43.85,;13.92,-44.62,;15.25,-43.84,;16.56,-35.38,;15.22,-34.61,;15.22,-33.07,;13.89,-32.31,;12.55,-33.08,;12.56,-34.63,;13.9,-35.39,;20.53,-25.36,;19.2,-26.13,;17.87,-25.36,;16.54,-26.14,;16.54,-27.68,;17.88,-28.44,;19.21,-27.67,;23.19,-19.19,;21.85,-18.43,;21.86,-16.89,;20.52,-16.12,;19.19,-16.89,;19.2,-18.44,;20.53,-19.2,;29.82,-9.19,;31.15,-9.95,;31.15,-11.48,;32.48,-12.25,;33.82,-11.48,;33.8,-9.93,;32.48,-9.17,;23.15,-.75,;24.48,.03,;25.81,-.75,;27.13,.02,;27.13,1.57,;25.79,2.33,;24.47,1.56,;16.5,-.01,;16.49,1.54,;17.83,2.31,;17.82,3.84,;16.49,4.61,;15.16,3.82,;15.16,2.29,;5.82,-3.62,;4.49,-2.86,;3.17,-3.64,;3.19,-5.17,;4.51,-5.93,;5.83,-5.16,;7.17,-5.92,;8.49,-5.14,;9.83,-5.9,;1.85,-5.94,;.51,-5.17,;-.83,-5.94,;1.85,-7.47,;.51,-8.25,)| Show InChI InChI=1S/C156H215N27O18/c1-5-174(6-2)123-77-79-127-137(105-123)201-138-106-124(175(7-3)8-4)78-80-128(138)147(127)125-67-33-34-68-126(125)148(192)173-136(76-42-50-96-164)156(200)183(114-122-65-31-16-32-66-122)104-88-146(191)172-135(75-41-49-95-163)155(199)182(113-121-63-29-15-30-64-121)103-87-145(190)171-134(74-40-48-94-162)154(198)181(112-120-61-27-14-28-62-120)102-86-144(189)170-133(73-39-47-93-161)153(197)180(111-119-59-25-13-26-60-119)101-85-143(188)169-132(72-38-46-92-160)152(196)179(110-118-57-23-12-24-58-118)100-84-142(187)168-131(71-37-45-91-159)151(195)178(109-117-55-21-11-22-56-117)99-83-141(186)167-130(70-36-44-90-158)150(194)177(108-116-53-19-10-20-54-116)98-82-140(185)166-129(69-35-43-89-157)149(193)176(97-81-139(165)184)107-115-51-17-9-18-52-115/h9-34,51-68,77-80,105-106,129-136H,5-8,35-50,69-76,81-104,107-114,157-164H2,1-4H3,(H9-,165,166,167,168,169,170,171,172,173,184,185,186,187,188,189,190,191,192)/p+1/t129-,130-,131-,132-,133-,134-,135-,136-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238908
(CHEMBL4073052)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,89.90,wD:19.20,75.76,103.104,117.118,(13.82,-8.19,;12.49,-7.43,;12.49,-5.88,;13.82,-5.12,;15.14,-5.88,;11.14,-5.12,;11.13,-3.59,;9.81,-2.83,;8.49,-3.6,;7.15,-2.84,;7.14,-.78,;5.8,-.02,;5.8,1.52,;7.13,2.3,;8.45,1.52,;8.45,-0,;9.78,-.78,;9.78,-2.33,;11.14,-0,;12.49,-.78,;12.49,-2.33,;13.81,-3.1,;13.81,-4.63,;15.14,-5.4,;16.47,-4.63,;13.83,-0,;13.83,1.56,;15.17,-.78,;15.17,-2.31,;16.5,-3.07,;17.83,-2.3,;17.83,-.77,;19.17,-3.07,;20.49,-2.3,;20.49,-.76,;21.82,.02,;21.81,1.56,;23.14,2.33,;23.14,3.86,;21.82,-3.06,;21.83,-4.59,;23.15,-2.29,;24.48,-3.06,;24.49,-4.59,;25.82,-5.35,;27.15,-4.58,;25.82,-6.89,;27.16,-7.65,;28.49,-6.88,;29.81,-7.64,;31.14,-6.87,;32.48,-7.64,;33.8,-6.87,;27.16,-9.19,;25.83,-9.96,;28.49,-9.95,;28.5,-11.49,;27.17,-12.26,;27.17,-13.8,;28.5,-14.56,;25.84,-14.57,;25.85,-16.11,;27.18,-16.87,;27.19,-18.41,;28.52,-19.18,;29.85,-18.41,;31.19,-19.18,;24.51,-16.88,;23.18,-16.11,;24.52,-18.42,;25.85,-19.19,;25.86,-20.73,;24.53,-21.5,;23.19,-20.73,;24.53,-23.04,;23.2,-23.81,;21.86,-23.05,;20.53,-23.82,;19.19,-23.05,;17.86,-23.83,;16.53,-23.06,;23.2,-25.35,;24.54,-26.12,;21.87,-26.13,;21.87,-27.67,;20.54,-28.44,;20.54,-29.98,;21.88,-30.75,;19.21,-30.75,;19.22,-32.29,;20.55,-33.06,;20.56,-34.6,;21.89,-35.37,;23.22,-34.59,;24.56,-35.36,;17.88,-33.07,;16.55,-32.3,;17.89,-34.61,;19.22,-35.37,;19.23,-36.91,;20.56,-37.68,;21.9,-36.91,;20.57,-39.22,;19.24,-39.99,;17.9,-39.23,;16.57,-40,;15.23,-39.23,;13.9,-40.01,;12.56,-39.24,;19.24,-41.53,;20.57,-42.3,;17.91,-42.31,;17.91,-43.85,;19.25,-44.61,;19.25,-46.15,;17.92,-46.93,;20.59,-46.92,;20.59,-48.46,;19.26,-49.23,;17.92,-48.47,;16.59,-49.24,;15.25,-48.47,;13.92,-49.25,;21.92,-49.23,;23.26,-48.46,;21.93,-50.77,;23.26,-51.54,;24.6,-50.76,;25.93,-51.53,;27.26,-50.76,;25.93,-53.07,;20.6,-51.54,;20.6,-53.08,;19.27,-53.85,;19.27,-55.38,;20.61,-56.15,;21.94,-55.37,;21.93,-53.83,;16.57,-41.54,;15.24,-42.31,;13.91,-41.54,;12.58,-42.31,;12.58,-43.85,;13.92,-44.62,;15.25,-43.84,;16.56,-35.38,;15.22,-34.61,;15.22,-33.07,;13.89,-32.31,;12.55,-33.08,;12.56,-34.63,;13.9,-35.39,;20.53,-25.36,;19.2,-26.13,;17.87,-25.36,;16.54,-26.14,;16.54,-27.68,;17.88,-28.44,;19.21,-27.67,;23.19,-19.19,;21.85,-18.43,;21.86,-16.89,;20.52,-16.12,;19.19,-16.89,;19.2,-18.44,;20.53,-19.2,;29.82,-9.19,;31.15,-9.95,;31.15,-11.48,;32.48,-12.25,;33.82,-11.48,;33.8,-9.93,;32.48,-9.17,;23.15,-.75,;24.48,.03,;25.81,-.75,;27.13,.02,;27.13,1.57,;25.79,2.33,;24.47,1.56,;16.5,-.01,;16.49,1.54,;17.83,2.31,;17.82,3.84,;16.49,4.61,;15.16,3.82,;15.16,2.29,;5.82,-3.62,;4.49,-2.86,;3.17,-3.64,;3.19,-5.17,;4.51,-5.93,;5.83,-5.16,;7.17,-5.92,;8.49,-5.14,;9.83,-5.9,;1.85,-5.94,;.51,-5.17,;-.83,-5.94,;1.85,-7.47,;.51,-8.25,)| Show InChI InChI=1S/C156H215N27O18/c1-5-174(6-2)123-77-79-127-137(105-123)201-138-106-124(175(7-3)8-4)78-80-128(138)147(127)125-67-33-34-68-126(125)148(192)173-136(76-42-50-96-164)156(200)183(114-122-65-31-16-32-66-122)104-88-146(191)172-135(75-41-49-95-163)155(199)182(113-121-63-29-15-30-64-121)103-87-145(190)171-134(74-40-48-94-162)154(198)181(112-120-61-27-14-28-62-120)102-86-144(189)170-133(73-39-47-93-161)153(197)180(111-119-59-25-13-26-60-119)101-85-143(188)169-132(72-38-46-92-160)152(196)179(110-118-57-23-12-24-58-118)100-84-142(187)168-131(71-37-45-91-159)151(195)178(109-117-55-21-11-22-56-117)99-83-141(186)167-130(70-36-44-90-158)150(194)177(108-116-53-19-10-20-54-116)98-82-140(185)166-129(69-35-43-89-157)149(193)176(97-81-139(165)184)107-115-51-17-9-18-52-115/h9-34,51-68,77-80,105-106,129-136H,5-8,35-50,69-76,81-104,107-114,157-164H2,1-4H3,(H9-,165,166,167,168,169,170,171,172,173,184,185,186,187,188,189,190,191,192)/p+1/t129-,130-,131-,132-,133-,134-,135-,136-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238908
(CHEMBL4073052)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,89.90,wD:19.20,75.76,103.104,117.118,(13.82,-8.19,;12.49,-7.43,;12.49,-5.88,;13.82,-5.12,;15.14,-5.88,;11.14,-5.12,;11.13,-3.59,;9.81,-2.83,;8.49,-3.6,;7.15,-2.84,;7.14,-.78,;5.8,-.02,;5.8,1.52,;7.13,2.3,;8.45,1.52,;8.45,-0,;9.78,-.78,;9.78,-2.33,;11.14,-0,;12.49,-.78,;12.49,-2.33,;13.81,-3.1,;13.81,-4.63,;15.14,-5.4,;16.47,-4.63,;13.83,-0,;13.83,1.56,;15.17,-.78,;15.17,-2.31,;16.5,-3.07,;17.83,-2.3,;17.83,-.77,;19.17,-3.07,;20.49,-2.3,;20.49,-.76,;21.82,.02,;21.81,1.56,;23.14,2.33,;23.14,3.86,;21.82,-3.06,;21.83,-4.59,;23.15,-2.29,;24.48,-3.06,;24.49,-4.59,;25.82,-5.35,;27.15,-4.58,;25.82,-6.89,;27.16,-7.65,;28.49,-6.88,;29.81,-7.64,;31.14,-6.87,;32.48,-7.64,;33.8,-6.87,;27.16,-9.19,;25.83,-9.96,;28.49,-9.95,;28.5,-11.49,;27.17,-12.26,;27.17,-13.8,;28.5,-14.56,;25.84,-14.57,;25.85,-16.11,;27.18,-16.87,;27.19,-18.41,;28.52,-19.18,;29.85,-18.41,;31.19,-19.18,;24.51,-16.88,;23.18,-16.11,;24.52,-18.42,;25.85,-19.19,;25.86,-20.73,;24.53,-21.5,;23.19,-20.73,;24.53,-23.04,;23.2,-23.81,;21.86,-23.05,;20.53,-23.82,;19.19,-23.05,;17.86,-23.83,;16.53,-23.06,;23.2,-25.35,;24.54,-26.12,;21.87,-26.13,;21.87,-27.67,;20.54,-28.44,;20.54,-29.98,;21.88,-30.75,;19.21,-30.75,;19.22,-32.29,;20.55,-33.06,;20.56,-34.6,;21.89,-35.37,;23.22,-34.59,;24.56,-35.36,;17.88,-33.07,;16.55,-32.3,;17.89,-34.61,;19.22,-35.37,;19.23,-36.91,;20.56,-37.68,;21.9,-36.91,;20.57,-39.22,;19.24,-39.99,;17.9,-39.23,;16.57,-40,;15.23,-39.23,;13.9,-40.01,;12.56,-39.24,;19.24,-41.53,;20.57,-42.3,;17.91,-42.31,;17.91,-43.85,;19.25,-44.61,;19.25,-46.15,;17.92,-46.93,;20.59,-46.92,;20.59,-48.46,;19.26,-49.23,;17.92,-48.47,;16.59,-49.24,;15.25,-48.47,;13.92,-49.25,;21.92,-49.23,;23.26,-48.46,;21.93,-50.77,;23.26,-51.54,;24.6,-50.76,;25.93,-51.53,;27.26,-50.76,;25.93,-53.07,;20.6,-51.54,;20.6,-53.08,;19.27,-53.85,;19.27,-55.38,;20.61,-56.15,;21.94,-55.37,;21.93,-53.83,;16.57,-41.54,;15.24,-42.31,;13.91,-41.54,;12.58,-42.31,;12.58,-43.85,;13.92,-44.62,;15.25,-43.84,;16.56,-35.38,;15.22,-34.61,;15.22,-33.07,;13.89,-32.31,;12.55,-33.08,;12.56,-34.63,;13.9,-35.39,;20.53,-25.36,;19.2,-26.13,;17.87,-25.36,;16.54,-26.14,;16.54,-27.68,;17.88,-28.44,;19.21,-27.67,;23.19,-19.19,;21.85,-18.43,;21.86,-16.89,;20.52,-16.12,;19.19,-16.89,;19.2,-18.44,;20.53,-19.2,;29.82,-9.19,;31.15,-9.95,;31.15,-11.48,;32.48,-12.25,;33.82,-11.48,;33.8,-9.93,;32.48,-9.17,;23.15,-.75,;24.48,.03,;25.81,-.75,;27.13,.02,;27.13,1.57,;25.79,2.33,;24.47,1.56,;16.5,-.01,;16.49,1.54,;17.83,2.31,;17.82,3.84,;16.49,4.61,;15.16,3.82,;15.16,2.29,;5.82,-3.62,;4.49,-2.86,;3.17,-3.64,;3.19,-5.17,;4.51,-5.93,;5.83,-5.16,;7.17,-5.92,;8.49,-5.14,;9.83,-5.9,;1.85,-5.94,;.51,-5.17,;-.83,-5.94,;1.85,-7.47,;.51,-8.25,)| Show InChI InChI=1S/C156H215N27O18/c1-5-174(6-2)123-77-79-127-137(105-123)201-138-106-124(175(7-3)8-4)78-80-128(138)147(127)125-67-33-34-68-126(125)148(192)173-136(76-42-50-96-164)156(200)183(114-122-65-31-16-32-66-122)104-88-146(191)172-135(75-41-49-95-163)155(199)182(113-121-63-29-15-30-64-121)103-87-145(190)171-134(74-40-48-94-162)154(198)181(112-120-61-27-14-28-62-120)102-86-144(189)170-133(73-39-47-93-161)153(197)180(111-119-59-25-13-26-60-119)101-85-143(188)169-132(72-38-46-92-160)152(196)179(110-118-57-23-12-24-58-118)100-84-142(187)168-131(71-37-45-91-159)151(195)178(109-117-55-21-11-22-56-117)99-83-141(186)167-130(70-36-44-90-158)150(194)177(108-116-53-19-10-20-54-116)98-82-140(185)166-129(69-35-43-89-157)149(193)176(97-81-139(165)184)107-115-51-17-9-18-52-115/h9-34,51-68,77-80,105-106,129-136H,5-8,35-50,69-76,81-104,107-114,157-164H2,1-4H3,(H9-,165,166,167,168,169,170,171,172,173,184,185,186,187,188,189,190,191,192)/p+1/t129-,130-,131-,132-,133-,134-,135-,136-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50098189
(CHEMBL3588930)Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C27H28N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,30-31H,6-7,10-14H2,1H3/t21?,25-,26?,27+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50098189
(CHEMBL3588930)Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C27H28N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,30-31H,6-7,10-14H2,1H3/t21?,25-,26?,27+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238896
(CHEMBL4072201)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,127.131,61.62,111.113,89.90,143.149,wD:19.20,135.140,47.48,119.122,75.76,103.104,(15.96,-48.69,;14.64,-47.92,;14.64,-46.39,;15.96,-45.63,;16.72,-46.96,;13.31,-45.63,;13.29,-44.12,;11.97,-43.36,;10.67,-44.13,;9.34,-43.37,;9.33,-41.32,;8,-40.57,;7.99,-39.04,;9.31,-38.27,;10.64,-39.03,;10.63,-40.55,;11.96,-41.32,;11.96,-42.86,;13.3,-40.55,;14.64,-41.32,;14.64,-42.86,;15.96,-43.62,;15.96,-45.16,;17.29,-45.93,;17.29,-47.46,;15.97,-40.55,;15.97,-39.01,;17.3,-41.32,;18.64,-40.55,;19.98,-41.32,;21.31,-40.55,;21.31,-39.01,;22.65,-41.32,;23.98,-40.55,;23.98,-39.01,;22.65,-38.23,;22.65,-36.69,;21.31,-35.93,;21.31,-34.38,;25.32,-41.32,;25.32,-42.86,;26.65,-40.55,;27.99,-41.32,;29.33,-40.55,;30.66,-41.32,;30.66,-42.86,;31.99,-40.55,;33.33,-41.32,;33.33,-42.86,;31.99,-43.64,;31.99,-45.18,;30.66,-45.94,;30.66,-47.48,;34.67,-40.55,;34.67,-39.01,;36.01,-41.32,;37.34,-40.55,;38.68,-41.32,;40.01,-40.55,;40.01,-39.01,;41.35,-41.32,;42.68,-40.55,;42.68,-39.01,;41.35,-38.23,;41.35,-36.69,;40.01,-35.93,;40.01,-34.38,;44.02,-41.32,;44.02,-42.86,;45.36,-40.55,;46.69,-41.32,;48.02,-40.55,;49.36,-41.32,;49.36,-42.86,;50.7,-40.55,;52.04,-41.32,;52.04,-42.86,;50.7,-43.64,;50.7,-45.18,;49.36,-45.94,;49.36,-47.48,;53.37,-40.55,;53.37,-39.01,;54.7,-41.32,;56.04,-40.55,;57.38,-41.32,;58.71,-40.55,;58.71,-39.01,;60.05,-41.32,;61.38,-40.55,;61.39,-39.02,;60.07,-38.24,;60.08,-36.71,;58.75,-35.94,;58.76,-34.4,;62.71,-41.33,;62.7,-42.86,;64.04,-40.57,;65.37,-41.34,;66.7,-40.58,;68.03,-41.35,;69.36,-40.59,;68.02,-42.89,;64.05,-39.03,;62.73,-38.26,;65.38,-38.27,;66.7,-39.05,;68.04,-38.29,;68.04,-36.76,;66.71,-35.98,;65.38,-36.75,;54.7,-42.86,;53.37,-43.64,;56.04,-43.64,;57.37,-42.85,;58.7,-43.63,;58.7,-45.17,;57.36,-45.93,;56.03,-45.17,;45.36,-39.01,;44.02,-38.23,;46.69,-38.23,;46.69,-36.69,;48.01,-35.93,;49.35,-36.69,;49.35,-38.24,;48.01,-39.01,;36.01,-42.86,;34.67,-43.64,;37.34,-43.64,;38.67,-42.85,;40.01,-43.63,;40.01,-45.18,;38.66,-45.94,;37.33,-45.17,;26.65,-39.01,;25.32,-38.23,;27.99,-38.23,;27.99,-36.69,;29.32,-35.93,;30.66,-36.69,;30.66,-38.24,;29.32,-39.01,;17.3,-42.86,;16.52,-44.18,;18.64,-43.64,;19.97,-42.85,;21.3,-43.63,;21.3,-45.17,;19.96,-45.94,;18.63,-45.17,;8.02,-44.14,;6.7,-43.39,;5.39,-44.16,;5.41,-45.69,;6.72,-46.44,;8.03,-45.67,;9.36,-46.42,;10.67,-45.65,;12,-46.41,;4.07,-46.45,;4.07,-47.97,;2.74,-48.74,;2.74,-45.69,;1.42,-46.45,)| Show InChI InChI=1S/C130H181N21O14/c1-11-144(12-2)103-67-69-107-115(89-103)165-116-90-104(145(13-3)14-4)68-70-108(116)123(107)105-59-33-34-60-106(105)124(158)143-114(66-40-46-82-136)130(164)151(96(10)102-57-31-20-32-58-102)88-76-122(157)142-113(65-39-45-81-135)129(163)150(95(9)101-55-29-19-30-56-101)87-75-121(156)141-112(64-38-44-80-134)128(162)149(94(8)100-53-27-18-28-54-100)86-74-120(155)140-111(63-37-43-79-133)127(161)148(93(7)99-51-25-17-26-52-99)85-73-119(154)139-110(62-36-42-78-132)126(160)147(92(6)98-49-23-16-24-50-98)84-72-118(153)138-109(61-35-41-77-131)125(159)146(83-71-117(137)152)91(5)97-47-21-15-22-48-97/h15-34,47-60,67-70,89-96,109-114H,11-14,35-46,61-66,71-88,131-136H2,1-10H3,(H7-,137,138,139,140,141,142,143,152,153,154,155,156,157,158)/p+1/t91-,92-,93-,94-,95-,96-,109+,110+,111+,112+,113+,114+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238896
(CHEMBL4072201)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,127.131,61.62,111.113,89.90,143.149,wD:19.20,135.140,47.48,119.122,75.76,103.104,(15.96,-48.69,;14.64,-47.92,;14.64,-46.39,;15.96,-45.63,;16.72,-46.96,;13.31,-45.63,;13.29,-44.12,;11.97,-43.36,;10.67,-44.13,;9.34,-43.37,;9.33,-41.32,;8,-40.57,;7.99,-39.04,;9.31,-38.27,;10.64,-39.03,;10.63,-40.55,;11.96,-41.32,;11.96,-42.86,;13.3,-40.55,;14.64,-41.32,;14.64,-42.86,;15.96,-43.62,;15.96,-45.16,;17.29,-45.93,;17.29,-47.46,;15.97,-40.55,;15.97,-39.01,;17.3,-41.32,;18.64,-40.55,;19.98,-41.32,;21.31,-40.55,;21.31,-39.01,;22.65,-41.32,;23.98,-40.55,;23.98,-39.01,;22.65,-38.23,;22.65,-36.69,;21.31,-35.93,;21.31,-34.38,;25.32,-41.32,;25.32,-42.86,;26.65,-40.55,;27.99,-41.32,;29.33,-40.55,;30.66,-41.32,;30.66,-42.86,;31.99,-40.55,;33.33,-41.32,;33.33,-42.86,;31.99,-43.64,;31.99,-45.18,;30.66,-45.94,;30.66,-47.48,;34.67,-40.55,;34.67,-39.01,;36.01,-41.32,;37.34,-40.55,;38.68,-41.32,;40.01,-40.55,;40.01,-39.01,;41.35,-41.32,;42.68,-40.55,;42.68,-39.01,;41.35,-38.23,;41.35,-36.69,;40.01,-35.93,;40.01,-34.38,;44.02,-41.32,;44.02,-42.86,;45.36,-40.55,;46.69,-41.32,;48.02,-40.55,;49.36,-41.32,;49.36,-42.86,;50.7,-40.55,;52.04,-41.32,;52.04,-42.86,;50.7,-43.64,;50.7,-45.18,;49.36,-45.94,;49.36,-47.48,;53.37,-40.55,;53.37,-39.01,;54.7,-41.32,;56.04,-40.55,;57.38,-41.32,;58.71,-40.55,;58.71,-39.01,;60.05,-41.32,;61.38,-40.55,;61.39,-39.02,;60.07,-38.24,;60.08,-36.71,;58.75,-35.94,;58.76,-34.4,;62.71,-41.33,;62.7,-42.86,;64.04,-40.57,;65.37,-41.34,;66.7,-40.58,;68.03,-41.35,;69.36,-40.59,;68.02,-42.89,;64.05,-39.03,;62.73,-38.26,;65.38,-38.27,;66.7,-39.05,;68.04,-38.29,;68.04,-36.76,;66.71,-35.98,;65.38,-36.75,;54.7,-42.86,;53.37,-43.64,;56.04,-43.64,;57.37,-42.85,;58.7,-43.63,;58.7,-45.17,;57.36,-45.93,;56.03,-45.17,;45.36,-39.01,;44.02,-38.23,;46.69,-38.23,;46.69,-36.69,;48.01,-35.93,;49.35,-36.69,;49.35,-38.24,;48.01,-39.01,;36.01,-42.86,;34.67,-43.64,;37.34,-43.64,;38.67,-42.85,;40.01,-43.63,;40.01,-45.18,;38.66,-45.94,;37.33,-45.17,;26.65,-39.01,;25.32,-38.23,;27.99,-38.23,;27.99,-36.69,;29.32,-35.93,;30.66,-36.69,;30.66,-38.24,;29.32,-39.01,;17.3,-42.86,;16.52,-44.18,;18.64,-43.64,;19.97,-42.85,;21.3,-43.63,;21.3,-45.17,;19.96,-45.94,;18.63,-45.17,;8.02,-44.14,;6.7,-43.39,;5.39,-44.16,;5.41,-45.69,;6.72,-46.44,;8.03,-45.67,;9.36,-46.42,;10.67,-45.65,;12,-46.41,;4.07,-46.45,;4.07,-47.97,;2.74,-48.74,;2.74,-45.69,;1.42,-46.45,)| Show InChI InChI=1S/C130H181N21O14/c1-11-144(12-2)103-67-69-107-115(89-103)165-116-90-104(145(13-3)14-4)68-70-108(116)123(107)105-59-33-34-60-106(105)124(158)143-114(66-40-46-82-136)130(164)151(96(10)102-57-31-20-32-58-102)88-76-122(157)142-113(65-39-45-81-135)129(163)150(95(9)101-55-29-19-30-56-101)87-75-121(156)141-112(64-38-44-80-134)128(162)149(94(8)100-53-27-18-28-54-100)86-74-120(155)140-111(63-37-43-79-133)127(161)148(93(7)99-51-25-17-26-52-99)85-73-119(154)139-110(62-36-42-78-132)126(160)147(92(6)98-49-23-16-24-50-98)84-72-118(153)138-109(61-35-41-77-131)125(159)146(83-71-117(137)152)91(5)97-47-21-15-22-48-97/h15-34,47-60,67-70,89-96,109-114H,11-14,35-46,61-66,71-88,131-136H2,1-10H3,(H7-,137,138,139,140,141,142,143,152,153,154,155,156,157,158)/p+1/t91-,92-,93-,94-,95-,96-,109+,110+,111+,112+,113+,114+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238896
(CHEMBL4072201)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,127.131,61.62,111.113,89.90,143.149,wD:19.20,135.140,47.48,119.122,75.76,103.104,(15.96,-48.69,;14.64,-47.92,;14.64,-46.39,;15.96,-45.63,;16.72,-46.96,;13.31,-45.63,;13.29,-44.12,;11.97,-43.36,;10.67,-44.13,;9.34,-43.37,;9.33,-41.32,;8,-40.57,;7.99,-39.04,;9.31,-38.27,;10.64,-39.03,;10.63,-40.55,;11.96,-41.32,;11.96,-42.86,;13.3,-40.55,;14.64,-41.32,;14.64,-42.86,;15.96,-43.62,;15.96,-45.16,;17.29,-45.93,;17.29,-47.46,;15.97,-40.55,;15.97,-39.01,;17.3,-41.32,;18.64,-40.55,;19.98,-41.32,;21.31,-40.55,;21.31,-39.01,;22.65,-41.32,;23.98,-40.55,;23.98,-39.01,;22.65,-38.23,;22.65,-36.69,;21.31,-35.93,;21.31,-34.38,;25.32,-41.32,;25.32,-42.86,;26.65,-40.55,;27.99,-41.32,;29.33,-40.55,;30.66,-41.32,;30.66,-42.86,;31.99,-40.55,;33.33,-41.32,;33.33,-42.86,;31.99,-43.64,;31.99,-45.18,;30.66,-45.94,;30.66,-47.48,;34.67,-40.55,;34.67,-39.01,;36.01,-41.32,;37.34,-40.55,;38.68,-41.32,;40.01,-40.55,;40.01,-39.01,;41.35,-41.32,;42.68,-40.55,;42.68,-39.01,;41.35,-38.23,;41.35,-36.69,;40.01,-35.93,;40.01,-34.38,;44.02,-41.32,;44.02,-42.86,;45.36,-40.55,;46.69,-41.32,;48.02,-40.55,;49.36,-41.32,;49.36,-42.86,;50.7,-40.55,;52.04,-41.32,;52.04,-42.86,;50.7,-43.64,;50.7,-45.18,;49.36,-45.94,;49.36,-47.48,;53.37,-40.55,;53.37,-39.01,;54.7,-41.32,;56.04,-40.55,;57.38,-41.32,;58.71,-40.55,;58.71,-39.01,;60.05,-41.32,;61.38,-40.55,;61.39,-39.02,;60.07,-38.24,;60.08,-36.71,;58.75,-35.94,;58.76,-34.4,;62.71,-41.33,;62.7,-42.86,;64.04,-40.57,;65.37,-41.34,;66.7,-40.58,;68.03,-41.35,;69.36,-40.59,;68.02,-42.89,;64.05,-39.03,;62.73,-38.26,;65.38,-38.27,;66.7,-39.05,;68.04,-38.29,;68.04,-36.76,;66.71,-35.98,;65.38,-36.75,;54.7,-42.86,;53.37,-43.64,;56.04,-43.64,;57.37,-42.85,;58.7,-43.63,;58.7,-45.17,;57.36,-45.93,;56.03,-45.17,;45.36,-39.01,;44.02,-38.23,;46.69,-38.23,;46.69,-36.69,;48.01,-35.93,;49.35,-36.69,;49.35,-38.24,;48.01,-39.01,;36.01,-42.86,;34.67,-43.64,;37.34,-43.64,;38.67,-42.85,;40.01,-43.63,;40.01,-45.18,;38.66,-45.94,;37.33,-45.17,;26.65,-39.01,;25.32,-38.23,;27.99,-38.23,;27.99,-36.69,;29.32,-35.93,;30.66,-36.69,;30.66,-38.24,;29.32,-39.01,;17.3,-42.86,;16.52,-44.18,;18.64,-43.64,;19.97,-42.85,;21.3,-43.63,;21.3,-45.17,;19.96,-45.94,;18.63,-45.17,;8.02,-44.14,;6.7,-43.39,;5.39,-44.16,;5.41,-45.69,;6.72,-46.44,;8.03,-45.67,;9.36,-46.42,;10.67,-45.65,;12,-46.41,;4.07,-46.45,;4.07,-47.97,;2.74,-48.74,;2.74,-45.69,;1.42,-46.45,)| Show InChI InChI=1S/C130H181N21O14/c1-11-144(12-2)103-67-69-107-115(89-103)165-116-90-104(145(13-3)14-4)68-70-108(116)123(107)105-59-33-34-60-106(105)124(158)143-114(66-40-46-82-136)130(164)151(96(10)102-57-31-20-32-58-102)88-76-122(157)142-113(65-39-45-81-135)129(163)150(95(9)101-55-29-19-30-56-101)87-75-121(156)141-112(64-38-44-80-134)128(162)149(94(8)100-53-27-18-28-54-100)86-74-120(155)140-111(63-37-43-79-133)127(161)148(93(7)99-51-25-17-26-52-99)85-73-119(154)139-110(62-36-42-78-132)126(160)147(92(6)98-49-23-16-24-50-98)84-72-118(153)138-109(61-35-41-77-131)125(159)146(83-71-117(137)152)91(5)97-47-21-15-22-48-97/h15-34,47-60,67-70,89-96,109-114H,11-14,35-46,61-66,71-88,131-136H2,1-10H3,(H7-,137,138,139,140,141,142,143,152,153,154,155,156,157,158)/p+1/t91-,92-,93-,94-,95-,96-,109+,110+,111+,112+,113+,114+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238902
(CHEMBL4079416)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:89.90,47.48,61.62,33.34,wD:75.76,19.20,(16.94,-17.7,;15.62,-16.93,;14.29,-17.7,;14.29,-19.24,;15.62,-20.01,;12.95,-16.93,;12.94,-15.41,;11.61,-14.64,;10.29,-15.41,;8.95,-14.65,;8.95,-12.59,;7.6,-11.83,;7.6,-10.29,;8.93,-9.51,;10.26,-10.28,;10.25,-11.81,;11.58,-12.59,;11.58,-14.14,;12.94,-11.81,;14.29,-12.59,;14.29,-14.14,;15.62,-14.91,;15.62,-16.44,;16.95,-17.21,;18.28,-16.44,;15.63,-11.81,;15.63,-10.25,;16.97,-12.59,;16.98,-14.12,;18.31,-14.89,;19.64,-14.11,;19.64,-12.58,;20.98,-14.88,;22.3,-14.11,;22.3,-12.57,;23.64,-11.79,;23.63,-10.25,;24.96,-9.48,;24.95,-7.94,;23.64,-14.87,;23.65,-16.41,;24.97,-14.1,;26.3,-14.87,;26.3,-16.4,;27.65,-17.17,;28.98,-16.39,;27.64,-18.7,;28.98,-19.47,;30.31,-18.7,;31.64,-19.46,;32.97,-18.69,;34.31,-19.46,;35.63,-18.69,;28.99,-21.01,;27.66,-21.78,;30.31,-21.77,;30.32,-23.31,;28.99,-24.09,;29,-25.62,;30.32,-26.38,;27.67,-26.39,;27.67,-27.94,;29.01,-28.7,;29.01,-30.24,;30.34,-31.01,;31.68,-30.24,;33.02,-31.01,;26.33,-28.71,;25,-27.94,;26.34,-30.25,;27.68,-31.02,;27.68,-32.56,;26.34,-33.33,;25.01,-32.57,;26.35,-34.88,;25.02,-35.65,;23.68,-34.88,;22.34,-35.66,;21.01,-34.89,;19.68,-35.66,;18.34,-34.9,;25.02,-37.19,;26.35,-37.96,;23.69,-37.97,;23.69,-39.51,;22.35,-40.28,;22.36,-41.82,;23.7,-42.59,;21.03,-42.6,;21.03,-44.14,;22.36,-44.91,;22.37,-46.45,;23.71,-47.22,;25.04,-46.44,;26.38,-47.21,;19.7,-44.91,;18.36,-44.15,;19.7,-46.45,;21.04,-47.22,;21.04,-48.76,;22.37,-49.53,;22.38,-51.07,;23.71,-48.76,;18.37,-47.23,;17.03,-46.46,;17.03,-44.92,;15.7,-44.15,;15.69,-42.61,;14.36,-44.93,;13.02,-44.16,;14.37,-46.48,;13.04,-47.25,;15.71,-47.24,;22.35,-37.2,;21.01,-37.97,;19.68,-37.2,;18.35,-37.97,;17.01,-37.21,;18.35,-39.52,;17.02,-40.29,;19.7,-40.28,;19.71,-41.83,;21.02,-39.51,;25,-31.03,;23.67,-30.26,;23.67,-28.72,;22.33,-27.95,;22.33,-26.41,;21,-28.72,;19.66,-27.96,;21.01,-30.27,;19.68,-31.05,;22.34,-31.03,;31.64,-21,;32.98,-21.77,;34.3,-20.99,;35.63,-21.75,;36.96,-20.97,;35.64,-23.3,;36.98,-24.06,;34.31,-24.07,;34.31,-25.61,;32.98,-23.3,;24.96,-12.56,;26.29,-11.78,;26.28,-10.25,;27.61,-9.48,;27.6,-7.93,;28.95,-10.24,;30.28,-9.46,;28.96,-11.79,;30.3,-12.55,;27.63,-12.56,;18.31,-11.82,;18.3,-10.26,;16.97,-9.52,;16.96,-7.98,;15.62,-7.22,;18.3,-7.19,;18.29,-5.65,;19.63,-7.97,;20.97,-7.2,;19.64,-9.5,;7.62,-15.44,;6.29,-14.67,;4.97,-15.45,;4.99,-16.99,;6.3,-17.75,;7.62,-16.97,;8.97,-17.73,;10.29,-16.95,;11.63,-17.72,;3.64,-17.76,;3.64,-19.29,;2.3,-20.06,;2.3,-16.99,;.96,-17.76,)| Show InChI InChI=1S/C124H151F18N21O14/c1-5-156(6-2)79-31-33-83-103(65-79)177-104-66-80(157(7-3)8-4)32-34-84(104)111(83)81-23-9-10-24-82(81)118(170)155-102(30-16-22-46-148)124(176)163(72-78-63-95(135)117(142)96(136)64-78)52-40-110(169)154-101(29-15-21-45-147)123(175)162(71-77-61-93(133)116(141)94(134)62-77)51-39-109(168)153-100(28-14-20-44-146)122(174)161(70-76-59-91(131)115(140)92(132)60-76)50-38-108(167)152-99(27-13-19-43-145)121(173)160(69-75-57-89(129)114(139)90(130)58-75)49-37-107(166)151-98(26-12-18-42-144)120(172)159(68-74-55-87(127)113(138)88(128)56-74)48-36-106(165)150-97(25-11-17-41-143)119(171)158(47-35-105(149)164)67-73-53-85(125)112(137)86(126)54-73/h9-10,23-24,31-34,53-66,97-102H,5-8,11-22,25-30,35-52,67-72,143-148H2,1-4H3,(H7-,149,150,151,152,153,154,155,164,165,166,167,168,169,170)/p+1/t97-,98-,99-,100-,101-,102-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238902
(CHEMBL4079416)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:89.90,47.48,61.62,33.34,wD:75.76,19.20,(16.94,-17.7,;15.62,-16.93,;14.29,-17.7,;14.29,-19.24,;15.62,-20.01,;12.95,-16.93,;12.94,-15.41,;11.61,-14.64,;10.29,-15.41,;8.95,-14.65,;8.95,-12.59,;7.6,-11.83,;7.6,-10.29,;8.93,-9.51,;10.26,-10.28,;10.25,-11.81,;11.58,-12.59,;11.58,-14.14,;12.94,-11.81,;14.29,-12.59,;14.29,-14.14,;15.62,-14.91,;15.62,-16.44,;16.95,-17.21,;18.28,-16.44,;15.63,-11.81,;15.63,-10.25,;16.97,-12.59,;16.98,-14.12,;18.31,-14.89,;19.64,-14.11,;19.64,-12.58,;20.98,-14.88,;22.3,-14.11,;22.3,-12.57,;23.64,-11.79,;23.63,-10.25,;24.96,-9.48,;24.95,-7.94,;23.64,-14.87,;23.65,-16.41,;24.97,-14.1,;26.3,-14.87,;26.3,-16.4,;27.65,-17.17,;28.98,-16.39,;27.64,-18.7,;28.98,-19.47,;30.31,-18.7,;31.64,-19.46,;32.97,-18.69,;34.31,-19.46,;35.63,-18.69,;28.99,-21.01,;27.66,-21.78,;30.31,-21.77,;30.32,-23.31,;28.99,-24.09,;29,-25.62,;30.32,-26.38,;27.67,-26.39,;27.67,-27.94,;29.01,-28.7,;29.01,-30.24,;30.34,-31.01,;31.68,-30.24,;33.02,-31.01,;26.33,-28.71,;25,-27.94,;26.34,-30.25,;27.68,-31.02,;27.68,-32.56,;26.34,-33.33,;25.01,-32.57,;26.35,-34.88,;25.02,-35.65,;23.68,-34.88,;22.34,-35.66,;21.01,-34.89,;19.68,-35.66,;18.34,-34.9,;25.02,-37.19,;26.35,-37.96,;23.69,-37.97,;23.69,-39.51,;22.35,-40.28,;22.36,-41.82,;23.7,-42.59,;21.03,-42.6,;21.03,-44.14,;22.36,-44.91,;22.37,-46.45,;23.71,-47.22,;25.04,-46.44,;26.38,-47.21,;19.7,-44.91,;18.36,-44.15,;19.7,-46.45,;21.04,-47.22,;21.04,-48.76,;22.37,-49.53,;22.38,-51.07,;23.71,-48.76,;18.37,-47.23,;17.03,-46.46,;17.03,-44.92,;15.7,-44.15,;15.69,-42.61,;14.36,-44.93,;13.02,-44.16,;14.37,-46.48,;13.04,-47.25,;15.71,-47.24,;22.35,-37.2,;21.01,-37.97,;19.68,-37.2,;18.35,-37.97,;17.01,-37.21,;18.35,-39.52,;17.02,-40.29,;19.7,-40.28,;19.71,-41.83,;21.02,-39.51,;25,-31.03,;23.67,-30.26,;23.67,-28.72,;22.33,-27.95,;22.33,-26.41,;21,-28.72,;19.66,-27.96,;21.01,-30.27,;19.68,-31.05,;22.34,-31.03,;31.64,-21,;32.98,-21.77,;34.3,-20.99,;35.63,-21.75,;36.96,-20.97,;35.64,-23.3,;36.98,-24.06,;34.31,-24.07,;34.31,-25.61,;32.98,-23.3,;24.96,-12.56,;26.29,-11.78,;26.28,-10.25,;27.61,-9.48,;27.6,-7.93,;28.95,-10.24,;30.28,-9.46,;28.96,-11.79,;30.3,-12.55,;27.63,-12.56,;18.31,-11.82,;18.3,-10.26,;16.97,-9.52,;16.96,-7.98,;15.62,-7.22,;18.3,-7.19,;18.29,-5.65,;19.63,-7.97,;20.97,-7.2,;19.64,-9.5,;7.62,-15.44,;6.29,-14.67,;4.97,-15.45,;4.99,-16.99,;6.3,-17.75,;7.62,-16.97,;8.97,-17.73,;10.29,-16.95,;11.63,-17.72,;3.64,-17.76,;3.64,-19.29,;2.3,-20.06,;2.3,-16.99,;.96,-17.76,)| Show InChI InChI=1S/C124H151F18N21O14/c1-5-156(6-2)79-31-33-83-103(65-79)177-104-66-80(157(7-3)8-4)32-34-84(104)111(83)81-23-9-10-24-82(81)118(170)155-102(30-16-22-46-148)124(176)163(72-78-63-95(135)117(142)96(136)64-78)52-40-110(169)154-101(29-15-21-45-147)123(175)162(71-77-61-93(133)116(141)94(134)62-77)51-39-109(168)153-100(28-14-20-44-146)122(174)161(70-76-59-91(131)115(140)92(132)60-76)50-38-108(167)152-99(27-13-19-43-145)121(173)160(69-75-57-89(129)114(139)90(130)58-75)49-37-107(166)151-98(26-12-18-42-144)120(172)159(68-74-55-87(127)113(138)88(128)56-74)48-36-106(165)150-97(25-11-17-41-143)119(171)158(47-35-105(149)164)67-73-53-85(125)112(137)86(126)54-73/h9-10,23-24,31-34,53-66,97-102H,5-8,11-22,25-30,35-52,67-72,143-148H2,1-4H3,(H7-,149,150,151,152,153,154,155,164,165,166,167,168,169,170)/p+1/t97-,98-,99-,100-,101-,102-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238902
(CHEMBL4079416)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:89.90,47.48,61.62,33.34,wD:75.76,19.20,(16.94,-17.7,;15.62,-16.93,;14.29,-17.7,;14.29,-19.24,;15.62,-20.01,;12.95,-16.93,;12.94,-15.41,;11.61,-14.64,;10.29,-15.41,;8.95,-14.65,;8.95,-12.59,;7.6,-11.83,;7.6,-10.29,;8.93,-9.51,;10.26,-10.28,;10.25,-11.81,;11.58,-12.59,;11.58,-14.14,;12.94,-11.81,;14.29,-12.59,;14.29,-14.14,;15.62,-14.91,;15.62,-16.44,;16.95,-17.21,;18.28,-16.44,;15.63,-11.81,;15.63,-10.25,;16.97,-12.59,;16.98,-14.12,;18.31,-14.89,;19.64,-14.11,;19.64,-12.58,;20.98,-14.88,;22.3,-14.11,;22.3,-12.57,;23.64,-11.79,;23.63,-10.25,;24.96,-9.48,;24.95,-7.94,;23.64,-14.87,;23.65,-16.41,;24.97,-14.1,;26.3,-14.87,;26.3,-16.4,;27.65,-17.17,;28.98,-16.39,;27.64,-18.7,;28.98,-19.47,;30.31,-18.7,;31.64,-19.46,;32.97,-18.69,;34.31,-19.46,;35.63,-18.69,;28.99,-21.01,;27.66,-21.78,;30.31,-21.77,;30.32,-23.31,;28.99,-24.09,;29,-25.62,;30.32,-26.38,;27.67,-26.39,;27.67,-27.94,;29.01,-28.7,;29.01,-30.24,;30.34,-31.01,;31.68,-30.24,;33.02,-31.01,;26.33,-28.71,;25,-27.94,;26.34,-30.25,;27.68,-31.02,;27.68,-32.56,;26.34,-33.33,;25.01,-32.57,;26.35,-34.88,;25.02,-35.65,;23.68,-34.88,;22.34,-35.66,;21.01,-34.89,;19.68,-35.66,;18.34,-34.9,;25.02,-37.19,;26.35,-37.96,;23.69,-37.97,;23.69,-39.51,;22.35,-40.28,;22.36,-41.82,;23.7,-42.59,;21.03,-42.6,;21.03,-44.14,;22.36,-44.91,;22.37,-46.45,;23.71,-47.22,;25.04,-46.44,;26.38,-47.21,;19.7,-44.91,;18.36,-44.15,;19.7,-46.45,;21.04,-47.22,;21.04,-48.76,;22.37,-49.53,;22.38,-51.07,;23.71,-48.76,;18.37,-47.23,;17.03,-46.46,;17.03,-44.92,;15.7,-44.15,;15.69,-42.61,;14.36,-44.93,;13.02,-44.16,;14.37,-46.48,;13.04,-47.25,;15.71,-47.24,;22.35,-37.2,;21.01,-37.97,;19.68,-37.2,;18.35,-37.97,;17.01,-37.21,;18.35,-39.52,;17.02,-40.29,;19.7,-40.28,;19.71,-41.83,;21.02,-39.51,;25,-31.03,;23.67,-30.26,;23.67,-28.72,;22.33,-27.95,;22.33,-26.41,;21,-28.72,;19.66,-27.96,;21.01,-30.27,;19.68,-31.05,;22.34,-31.03,;31.64,-21,;32.98,-21.77,;34.3,-20.99,;35.63,-21.75,;36.96,-20.97,;35.64,-23.3,;36.98,-24.06,;34.31,-24.07,;34.31,-25.61,;32.98,-23.3,;24.96,-12.56,;26.29,-11.78,;26.28,-10.25,;27.61,-9.48,;27.6,-7.93,;28.95,-10.24,;30.28,-9.46,;28.96,-11.79,;30.3,-12.55,;27.63,-12.56,;18.31,-11.82,;18.3,-10.26,;16.97,-9.52,;16.96,-7.98,;15.62,-7.22,;18.3,-7.19,;18.29,-5.65,;19.63,-7.97,;20.97,-7.2,;19.64,-9.5,;7.62,-15.44,;6.29,-14.67,;4.97,-15.45,;4.99,-16.99,;6.3,-17.75,;7.62,-16.97,;8.97,-17.73,;10.29,-16.95,;11.63,-17.72,;3.64,-17.76,;3.64,-19.29,;2.3,-20.06,;2.3,-16.99,;.96,-17.76,)| Show InChI InChI=1S/C124H151F18N21O14/c1-5-156(6-2)79-31-33-83-103(65-79)177-104-66-80(157(7-3)8-4)32-34-84(104)111(83)81-23-9-10-24-82(81)118(170)155-102(30-16-22-46-148)124(176)163(72-78-63-95(135)117(142)96(136)64-78)52-40-110(169)154-101(29-15-21-45-147)123(175)162(71-77-61-93(133)116(141)94(134)62-77)51-39-109(168)153-100(28-14-20-44-146)122(174)161(70-76-59-91(131)115(140)92(132)60-76)50-38-108(167)152-99(27-13-19-43-145)121(173)160(69-75-57-89(129)114(139)90(130)58-75)49-37-107(166)151-98(26-12-18-42-144)120(172)159(68-74-55-87(127)113(138)88(128)56-74)48-36-106(165)150-97(25-11-17-41-143)119(171)158(47-35-105(149)164)67-73-53-85(125)112(137)86(126)54-73/h9-10,23-24,31-34,53-66,97-102H,5-8,11-22,25-30,35-52,67-72,143-148H2,1-4H3,(H7-,149,150,151,152,153,154,155,164,165,166,167,168,169,170)/p+1/t97-,98-,99-,100-,101-,102-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238910
(CHEMBL4103322)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:98.100,67.69,47.48,28.29,wD:87.89,74.76,58.60,39.40,19.20,(20.11,-29.83,;18.77,-29.06,;17.43,-29.83,;17.43,-31.37,;18.77,-32.14,;16.1,-29.06,;16.09,-27.53,;14.75,-26.76,;13.43,-27.54,;12.09,-26.77,;12.08,-24.71,;10.74,-23.95,;10.73,-22.4,;12.06,-21.63,;13.4,-22.39,;13.4,-23.93,;14.73,-24.69,;14.73,-26.24,;16.06,-23.92,;17.39,-24.69,;17.39,-26.23,;18.84,-27.12,;20.36,-26.84,;21.4,-28.17,;20.99,-25.64,;18.73,-23.92,;18.73,-22.38,;20.06,-24.69,;21.4,-23.92,;21.4,-22.38,;22.73,-21.61,;22.73,-20.06,;24.07,-19.3,;24.07,-17.77,;22.73,-16.99,;25.4,-16.99,;22.73,-24.69,;22.73,-26.23,;24.07,-23.92,;25.4,-24.69,;25.4,-26.23,;26.74,-27.01,;26.74,-28.55,;28.07,-26.23,;26.74,-23.92,;26.74,-22.38,;28.07,-24.69,;29.41,-23.92,;29.41,-22.38,;30.74,-21.61,;30.74,-20.06,;32.07,-19.3,;33.41,-20.06,;33.41,-21.61,;32.07,-22.38,;30.74,-24.69,;30.74,-26.23,;32.07,-23.92,;33.41,-24.69,;33.41,-26.23,;34.75,-27.01,;34.75,-28.55,;33.41,-29.31,;36.08,-29.31,;34.75,-23.92,;34.75,-22.38,;36.08,-24.69,;37.42,-23.92,;37.42,-22.38,;38.75,-21.61,;36.08,-21.61,;38.75,-24.69,;38.75,-26.23,;40.09,-23.92,;41.41,-24.69,;41.41,-26.23,;42.75,-27.01,;42.75,-28.55,;44.08,-29.31,;44.08,-30.85,;42.75,-23.92,;42.75,-22.38,;44.08,-24.69,;45.42,-23.92,;46.75,-24.69,;46.75,-26.23,;48.09,-23.92,;49.42,-24.69,;49.42,-26.23,;50.76,-27.01,;50.76,-28.55,;52.08,-29.31,;52.08,-30.85,;50.76,-31.63,;53.42,-31.63,;50.76,-23.92,;50.76,-22.38,;52.08,-24.69,;53.42,-23.92,;53.42,-22.38,;54.76,-21.61,;54.76,-20.06,;56.09,-19.3,;56.09,-17.77,;54.76,-16.99,;57.43,-16.99,;54.76,-24.69,;56.09,-23.92,;54.76,-26.23,;10.76,-27.55,;9.42,-26.8,;8.09,-27.57,;8.11,-29.11,;9.44,-29.87,;10.77,-29.09,;12.1,-29.86,;13.43,-29.08,;14.78,-29.85,;6.77,-29.88,;6.77,-31.42,;5.43,-32.19,;5.43,-29.11,;4.1,-29.88,)| Show InChI InChI=1S/C84H126N24O15/c1-9-107(10-2)51-31-33-55-65(45-51)123-66-46-52(108(11-3)12-4)32-34-56(66)70(55)53-25-16-17-26-54(53)72(112)99-60(35-37-67(86)109)76(116)100-59(29-21-41-95-83(90)91)75(115)104-63(43-48(5)6)78(118)105-64(44-50-23-14-13-15-24-50)79(119)101-61(36-38-68(87)110)77(117)106-71(49(7)8)80(120)102-57(27-18-19-39-85)73(113)97-47-69(111)98-58(28-20-40-94-82(88)89)74(114)103-62(81(121)122)30-22-42-96-84(92)93/h13-17,23-26,31-34,45-46,48-49,57-64,71H,9-12,18-22,27-30,35-44,47,85H2,1-8H3,(H26-,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,109,110,111,112,113,114,115,116,117,118,119,120,121,122)/p+1/t57-,58-,59-,60-,61-,62-,63-,64-,71-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Opioid receptor affinity against the Opioid receptor delta 1 by using the curve-fitting program LIGAND |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238910
(CHEMBL4103322)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:98.100,67.69,47.48,28.29,wD:87.89,74.76,58.60,39.40,19.20,(20.11,-29.83,;18.77,-29.06,;17.43,-29.83,;17.43,-31.37,;18.77,-32.14,;16.1,-29.06,;16.09,-27.53,;14.75,-26.76,;13.43,-27.54,;12.09,-26.77,;12.08,-24.71,;10.74,-23.95,;10.73,-22.4,;12.06,-21.63,;13.4,-22.39,;13.4,-23.93,;14.73,-24.69,;14.73,-26.24,;16.06,-23.92,;17.39,-24.69,;17.39,-26.23,;18.84,-27.12,;20.36,-26.84,;21.4,-28.17,;20.99,-25.64,;18.73,-23.92,;18.73,-22.38,;20.06,-24.69,;21.4,-23.92,;21.4,-22.38,;22.73,-21.61,;22.73,-20.06,;24.07,-19.3,;24.07,-17.77,;22.73,-16.99,;25.4,-16.99,;22.73,-24.69,;22.73,-26.23,;24.07,-23.92,;25.4,-24.69,;25.4,-26.23,;26.74,-27.01,;26.74,-28.55,;28.07,-26.23,;26.74,-23.92,;26.74,-22.38,;28.07,-24.69,;29.41,-23.92,;29.41,-22.38,;30.74,-21.61,;30.74,-20.06,;32.07,-19.3,;33.41,-20.06,;33.41,-21.61,;32.07,-22.38,;30.74,-24.69,;30.74,-26.23,;32.07,-23.92,;33.41,-24.69,;33.41,-26.23,;34.75,-27.01,;34.75,-28.55,;33.41,-29.31,;36.08,-29.31,;34.75,-23.92,;34.75,-22.38,;36.08,-24.69,;37.42,-23.92,;37.42,-22.38,;38.75,-21.61,;36.08,-21.61,;38.75,-24.69,;38.75,-26.23,;40.09,-23.92,;41.41,-24.69,;41.41,-26.23,;42.75,-27.01,;42.75,-28.55,;44.08,-29.31,;44.08,-30.85,;42.75,-23.92,;42.75,-22.38,;44.08,-24.69,;45.42,-23.92,;46.75,-24.69,;46.75,-26.23,;48.09,-23.92,;49.42,-24.69,;49.42,-26.23,;50.76,-27.01,;50.76,-28.55,;52.08,-29.31,;52.08,-30.85,;50.76,-31.63,;53.42,-31.63,;50.76,-23.92,;50.76,-22.38,;52.08,-24.69,;53.42,-23.92,;53.42,-22.38,;54.76,-21.61,;54.76,-20.06,;56.09,-19.3,;56.09,-17.77,;54.76,-16.99,;57.43,-16.99,;54.76,-24.69,;56.09,-23.92,;54.76,-26.23,;10.76,-27.55,;9.42,-26.8,;8.09,-27.57,;8.11,-29.11,;9.44,-29.87,;10.77,-29.09,;12.1,-29.86,;13.43,-29.08,;14.78,-29.85,;6.77,-29.88,;6.77,-31.42,;5.43,-32.19,;5.43,-29.11,;4.1,-29.88,)| Show InChI InChI=1S/C84H126N24O15/c1-9-107(10-2)51-31-33-55-65(45-51)123-66-46-52(108(11-3)12-4)32-34-56(66)70(55)53-25-16-17-26-54(53)72(112)99-60(35-37-67(86)109)76(116)100-59(29-21-41-95-83(90)91)75(115)104-63(43-48(5)6)78(118)105-64(44-50-23-14-13-15-24-50)79(119)101-61(36-38-68(87)110)77(117)106-71(49(7)8)80(120)102-57(27-18-19-39-85)73(113)97-47-69(111)98-58(28-20-40-94-82(88)89)74(114)103-62(81(121)122)30-22-42-96-84(92)93/h13-17,23-26,31-34,45-46,48-49,57-64,71H,9-12,18-22,27-30,35-44,47,85H2,1-8H3,(H26-,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,109,110,111,112,113,114,115,116,117,118,119,120,121,122)/p+1/t57-,58-,59-,60-,61-,62-,63-,64-,71-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Opioid receptor affinity against the Opioid receptor delta 1 by using the curve-fitting program LIGAND |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238910
(CHEMBL4103322)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:98.100,67.69,47.48,28.29,wD:87.89,74.76,58.60,39.40,19.20,(20.11,-29.83,;18.77,-29.06,;17.43,-29.83,;17.43,-31.37,;18.77,-32.14,;16.1,-29.06,;16.09,-27.53,;14.75,-26.76,;13.43,-27.54,;12.09,-26.77,;12.08,-24.71,;10.74,-23.95,;10.73,-22.4,;12.06,-21.63,;13.4,-22.39,;13.4,-23.93,;14.73,-24.69,;14.73,-26.24,;16.06,-23.92,;17.39,-24.69,;17.39,-26.23,;18.84,-27.12,;20.36,-26.84,;21.4,-28.17,;20.99,-25.64,;18.73,-23.92,;18.73,-22.38,;20.06,-24.69,;21.4,-23.92,;21.4,-22.38,;22.73,-21.61,;22.73,-20.06,;24.07,-19.3,;24.07,-17.77,;22.73,-16.99,;25.4,-16.99,;22.73,-24.69,;22.73,-26.23,;24.07,-23.92,;25.4,-24.69,;25.4,-26.23,;26.74,-27.01,;26.74,-28.55,;28.07,-26.23,;26.74,-23.92,;26.74,-22.38,;28.07,-24.69,;29.41,-23.92,;29.41,-22.38,;30.74,-21.61,;30.74,-20.06,;32.07,-19.3,;33.41,-20.06,;33.41,-21.61,;32.07,-22.38,;30.74,-24.69,;30.74,-26.23,;32.07,-23.92,;33.41,-24.69,;33.41,-26.23,;34.75,-27.01,;34.75,-28.55,;33.41,-29.31,;36.08,-29.31,;34.75,-23.92,;34.75,-22.38,;36.08,-24.69,;37.42,-23.92,;37.42,-22.38,;38.75,-21.61,;36.08,-21.61,;38.75,-24.69,;38.75,-26.23,;40.09,-23.92,;41.41,-24.69,;41.41,-26.23,;42.75,-27.01,;42.75,-28.55,;44.08,-29.31,;44.08,-30.85,;42.75,-23.92,;42.75,-22.38,;44.08,-24.69,;45.42,-23.92,;46.75,-24.69,;46.75,-26.23,;48.09,-23.92,;49.42,-24.69,;49.42,-26.23,;50.76,-27.01,;50.76,-28.55,;52.08,-29.31,;52.08,-30.85,;50.76,-31.63,;53.42,-31.63,;50.76,-23.92,;50.76,-22.38,;52.08,-24.69,;53.42,-23.92,;53.42,-22.38,;54.76,-21.61,;54.76,-20.06,;56.09,-19.3,;56.09,-17.77,;54.76,-16.99,;57.43,-16.99,;54.76,-24.69,;56.09,-23.92,;54.76,-26.23,;10.76,-27.55,;9.42,-26.8,;8.09,-27.57,;8.11,-29.11,;9.44,-29.87,;10.77,-29.09,;12.1,-29.86,;13.43,-29.08,;14.78,-29.85,;6.77,-29.88,;6.77,-31.42,;5.43,-32.19,;5.43,-29.11,;4.1,-29.88,)| Show InChI InChI=1S/C84H126N24O15/c1-9-107(10-2)51-31-33-55-65(45-51)123-66-46-52(108(11-3)12-4)32-34-56(66)70(55)53-25-16-17-26-54(53)72(112)99-60(35-37-67(86)109)76(116)100-59(29-21-41-95-83(90)91)75(115)104-63(43-48(5)6)78(118)105-64(44-50-23-14-13-15-24-50)79(119)101-61(36-38-68(87)110)77(117)106-71(49(7)8)80(120)102-57(27-18-19-39-85)73(113)97-47-69(111)98-58(28-20-40-94-82(88)89)74(114)103-62(81(121)122)30-22-42-96-84(92)93/h13-17,23-26,31-34,45-46,48-49,57-64,71H,9-12,18-22,27-30,35-44,47,85H2,1-8H3,(H26-,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,109,110,111,112,113,114,115,116,117,118,119,120,121,122)/p+1/t57-,58-,59-,60-,61-,62-,63-,64-,71-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Opioid receptor affinity against the Opioid receptor delta 1 by using the curve-fitting program LIGAND |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238904
(CHEMBL4082656)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccc(cc3)C(F)(F)F)Cc3ccc(cc3)C(F)(F)F)Cc3ccc(cc3)C(F)(F)F)Cc3ccc(cc3)C(F)(F)F)Cc3ccc(cc3)C(F)(F)F)Cc3ccc(cc3)C(F)(F)F)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:89.90,47.48,61.62,33.34,wD:75.76,19.20,(20.86,-17.1,;19.54,-16.33,;18.21,-17.1,;18.21,-18.64,;19.54,-19.41,;16.86,-16.33,;16.86,-14.81,;15.53,-14.04,;14.2,-14.81,;12.87,-14.05,;12.86,-11.99,;11.52,-11.23,;11.52,-9.69,;12.85,-8.91,;14.17,-9.68,;14.17,-11.21,;15.5,-11.99,;15.5,-13.54,;16.86,-11.21,;18.21,-11.99,;18.21,-13.54,;19.54,-14.31,;19.54,-15.84,;20.87,-16.61,;22.2,-15.84,;19.55,-11.21,;19.55,-9.65,;20.89,-11.99,;20.9,-13.52,;22.23,-14.29,;23.56,-13.51,;23.56,-11.98,;24.9,-14.28,;26.22,-13.51,;26.22,-11.97,;27.56,-11.19,;27.55,-9.65,;28.88,-8.88,;28.87,-7.35,;27.56,-14.27,;27.57,-15.81,;28.89,-13.5,;30.22,-14.27,;30.22,-15.81,;31.57,-16.57,;32.89,-15.79,;31.56,-18.1,;32.9,-18.87,;34.23,-18.1,;35.55,-18.86,;36.89,-18.09,;38.23,-18.86,;39.55,-18.09,;32.9,-20.41,;31.58,-21.18,;34.23,-21.17,;34.24,-22.71,;32.91,-23.49,;32.91,-25.02,;34.24,-25.78,;31.59,-25.79,;31.59,-27.34,;32.92,-28.1,;32.93,-29.64,;34.26,-30.41,;35.59,-29.64,;36.94,-30.41,;30.25,-28.11,;28.92,-27.34,;30.25,-29.65,;31.6,-30.42,;31.6,-31.96,;30.26,-32.73,;28.93,-31.97,;30.27,-34.28,;28.93,-35.05,;27.6,-34.28,;26.26,-35.06,;24.93,-34.29,;23.59,-35.06,;22.26,-34.3,;28.94,-36.59,;30.27,-37.36,;27.61,-37.37,;27.61,-38.91,;26.27,-39.68,;26.28,-41.22,;27.62,-41.99,;24.94,-42,;24.95,-43.54,;26.28,-44.31,;26.29,-45.85,;27.63,-46.62,;28.96,-45.84,;30.3,-46.61,;23.62,-44.31,;22.28,-43.55,;23.62,-45.86,;24.96,-46.62,;24.96,-48.16,;26.29,-48.93,;26.3,-50.47,;27.63,-48.16,;22.29,-46.63,;20.95,-45.86,;19.62,-46.64,;18.29,-45.88,;18.28,-44.33,;19.61,-43.55,;20.95,-44.32,;16.94,-43.56,;16.94,-42.02,;15.61,-44.34,;15.6,-42.79,;26.26,-36.6,;24.93,-37.37,;23.6,-36.6,;22.27,-37.37,;22.27,-38.92,;23.62,-39.68,;24.94,-38.91,;20.94,-39.69,;19.6,-38.93,;20.94,-41.24,;19.59,-40.46,;28.92,-30.43,;27.59,-29.66,;26.26,-30.43,;24.93,-29.67,;24.92,-28.12,;26.25,-27.35,;27.59,-28.12,;23.58,-27.36,;23.57,-25.81,;22.25,-28.13,;22.23,-26.58,;35.56,-20.41,;36.9,-21.17,;36.9,-22.7,;38.23,-23.47,;39.56,-22.7,;39.55,-21.15,;38.22,-20.39,;40.9,-23.46,;40.91,-25,;42.23,-22.68,;42.23,-24.23,;28.88,-11.96,;30.21,-11.18,;30.2,-9.65,;31.53,-8.88,;32.87,-9.64,;32.88,-11.19,;31.55,-11.96,;34.2,-8.86,;35.54,-9.63,;34.2,-7.32,;35.53,-8.08,;22.23,-11.22,;22.22,-9.66,;20.89,-8.92,;20.88,-7.38,;22.22,-6.59,;23.55,-7.37,;23.56,-8.9,;22.21,-5.05,;23.55,-4.28,;20.87,-4.28,;22.2,-3.51,;11.54,-14.84,;10.21,-14.07,;8.89,-14.85,;8.91,-16.39,;10.22,-17.15,;11.54,-16.37,;12.89,-17.13,;14.21,-16.35,;15.55,-17.12,;7.56,-17.16,;7.56,-18.69,;6.22,-19.46,;6.22,-16.39,;4.88,-17.16,)| Show InChI InChI=1S/C130H163F18N21O14/c1-5-162(6-2)97-55-57-101-109(77-97)183-110-78-98(163(7-3)8-4)56-58-102(110)117(101)99-23-9-10-24-100(99)118(176)161-108(30-16-22-70-154)124(182)169(84-90-41-53-96(54-42-90)130(146,147)148)76-64-116(175)160-107(29-15-21-69-153)123(181)168(83-89-39-51-95(52-40-89)129(143,144)145)75-63-115(174)159-106(28-14-20-68-152)122(180)167(82-88-37-49-94(50-38-88)128(140,141)142)74-62-114(173)158-105(27-13-19-67-151)121(179)166(81-87-35-47-93(48-36-87)127(137,138)139)73-61-113(172)157-104(26-12-18-66-150)120(178)165(80-86-33-45-92(46-34-86)126(134,135)136)72-60-112(171)156-103(25-11-17-65-149)119(177)164(71-59-111(155)170)79-85-31-43-91(44-32-85)125(131,132)133/h9-10,23-24,31-58,77-78,103-108H,5-8,11-22,25-30,59-76,79-84,149-154H2,1-4H3,(H7-,155,156,157,158,159,160,161,170,171,172,173,174,175,176)/p+1/t103-,104-,105-,106-,107-,108-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238904
(CHEMBL4082656)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccc(cc3)C(F)(F)F)Cc3ccc(cc3)C(F)(F)F)Cc3ccc(cc3)C(F)(F)F)Cc3ccc(cc3)C(F)(F)F)Cc3ccc(cc3)C(F)(F)F)Cc3ccc(cc3)C(F)(F)F)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:89.90,47.48,61.62,33.34,wD:75.76,19.20,(20.86,-17.1,;19.54,-16.33,;18.21,-17.1,;18.21,-18.64,;19.54,-19.41,;16.86,-16.33,;16.86,-14.81,;15.53,-14.04,;14.2,-14.81,;12.87,-14.05,;12.86,-11.99,;11.52,-11.23,;11.52,-9.69,;12.85,-8.91,;14.17,-9.68,;14.17,-11.21,;15.5,-11.99,;15.5,-13.54,;16.86,-11.21,;18.21,-11.99,;18.21,-13.54,;19.54,-14.31,;19.54,-15.84,;20.87,-16.61,;22.2,-15.84,;19.55,-11.21,;19.55,-9.65,;20.89,-11.99,;20.9,-13.52,;22.23,-14.29,;23.56,-13.51,;23.56,-11.98,;24.9,-14.28,;26.22,-13.51,;26.22,-11.97,;27.56,-11.19,;27.55,-9.65,;28.88,-8.88,;28.87,-7.35,;27.56,-14.27,;27.57,-15.81,;28.89,-13.5,;30.22,-14.27,;30.22,-15.81,;31.57,-16.57,;32.89,-15.79,;31.56,-18.1,;32.9,-18.87,;34.23,-18.1,;35.55,-18.86,;36.89,-18.09,;38.23,-18.86,;39.55,-18.09,;32.9,-20.41,;31.58,-21.18,;34.23,-21.17,;34.24,-22.71,;32.91,-23.49,;32.91,-25.02,;34.24,-25.78,;31.59,-25.79,;31.59,-27.34,;32.92,-28.1,;32.93,-29.64,;34.26,-30.41,;35.59,-29.64,;36.94,-30.41,;30.25,-28.11,;28.92,-27.34,;30.25,-29.65,;31.6,-30.42,;31.6,-31.96,;30.26,-32.73,;28.93,-31.97,;30.27,-34.28,;28.93,-35.05,;27.6,-34.28,;26.26,-35.06,;24.93,-34.29,;23.59,-35.06,;22.26,-34.3,;28.94,-36.59,;30.27,-37.36,;27.61,-37.37,;27.61,-38.91,;26.27,-39.68,;26.28,-41.22,;27.62,-41.99,;24.94,-42,;24.95,-43.54,;26.28,-44.31,;26.29,-45.85,;27.63,-46.62,;28.96,-45.84,;30.3,-46.61,;23.62,-44.31,;22.28,-43.55,;23.62,-45.86,;24.96,-46.62,;24.96,-48.16,;26.29,-48.93,;26.3,-50.47,;27.63,-48.16,;22.29,-46.63,;20.95,-45.86,;19.62,-46.64,;18.29,-45.88,;18.28,-44.33,;19.61,-43.55,;20.95,-44.32,;16.94,-43.56,;16.94,-42.02,;15.61,-44.34,;15.6,-42.79,;26.26,-36.6,;24.93,-37.37,;23.6,-36.6,;22.27,-37.37,;22.27,-38.92,;23.62,-39.68,;24.94,-38.91,;20.94,-39.69,;19.6,-38.93,;20.94,-41.24,;19.59,-40.46,;28.92,-30.43,;27.59,-29.66,;26.26,-30.43,;24.93,-29.67,;24.92,-28.12,;26.25,-27.35,;27.59,-28.12,;23.58,-27.36,;23.57,-25.81,;22.25,-28.13,;22.23,-26.58,;35.56,-20.41,;36.9,-21.17,;36.9,-22.7,;38.23,-23.47,;39.56,-22.7,;39.55,-21.15,;38.22,-20.39,;40.9,-23.46,;40.91,-25,;42.23,-22.68,;42.23,-24.23,;28.88,-11.96,;30.21,-11.18,;30.2,-9.65,;31.53,-8.88,;32.87,-9.64,;32.88,-11.19,;31.55,-11.96,;34.2,-8.86,;35.54,-9.63,;34.2,-7.32,;35.53,-8.08,;22.23,-11.22,;22.22,-9.66,;20.89,-8.92,;20.88,-7.38,;22.22,-6.59,;23.55,-7.37,;23.56,-8.9,;22.21,-5.05,;23.55,-4.28,;20.87,-4.28,;22.2,-3.51,;11.54,-14.84,;10.21,-14.07,;8.89,-14.85,;8.91,-16.39,;10.22,-17.15,;11.54,-16.37,;12.89,-17.13,;14.21,-16.35,;15.55,-17.12,;7.56,-17.16,;7.56,-18.69,;6.22,-19.46,;6.22,-16.39,;4.88,-17.16,)| Show InChI InChI=1S/C130H163F18N21O14/c1-5-162(6-2)97-55-57-101-109(77-97)183-110-78-98(163(7-3)8-4)56-58-102(110)117(101)99-23-9-10-24-100(99)118(176)161-108(30-16-22-70-154)124(182)169(84-90-41-53-96(54-42-90)130(146,147)148)76-64-116(175)160-107(29-15-21-69-153)123(181)168(83-89-39-51-95(52-40-89)129(143,144)145)75-63-115(174)159-106(28-14-20-68-152)122(180)167(82-88-37-49-94(50-38-88)128(140,141)142)74-62-114(173)158-105(27-13-19-67-151)121(179)166(81-87-35-47-93(48-36-87)127(137,138)139)73-61-113(172)157-104(26-12-18-66-150)120(178)165(80-86-33-45-92(46-34-86)126(134,135)136)72-60-112(171)156-103(25-11-17-65-149)119(177)164(71-59-111(155)170)79-85-31-43-91(44-32-85)125(131,132)133/h9-10,23-24,31-58,77-78,103-108H,5-8,11-22,25-30,59-76,79-84,149-154H2,1-4H3,(H7-,155,156,157,158,159,160,161,170,171,172,173,174,175,176)/p+1/t103-,104-,105-,106-,107-,108-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238904
(CHEMBL4082656)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccc(cc3)C(F)(F)F)Cc3ccc(cc3)C(F)(F)F)Cc3ccc(cc3)C(F)(F)F)Cc3ccc(cc3)C(F)(F)F)Cc3ccc(cc3)C(F)(F)F)Cc3ccc(cc3)C(F)(F)F)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:89.90,47.48,61.62,33.34,wD:75.76,19.20,(20.86,-17.1,;19.54,-16.33,;18.21,-17.1,;18.21,-18.64,;19.54,-19.41,;16.86,-16.33,;16.86,-14.81,;15.53,-14.04,;14.2,-14.81,;12.87,-14.05,;12.86,-11.99,;11.52,-11.23,;11.52,-9.69,;12.85,-8.91,;14.17,-9.68,;14.17,-11.21,;15.5,-11.99,;15.5,-13.54,;16.86,-11.21,;18.21,-11.99,;18.21,-13.54,;19.54,-14.31,;19.54,-15.84,;20.87,-16.61,;22.2,-15.84,;19.55,-11.21,;19.55,-9.65,;20.89,-11.99,;20.9,-13.52,;22.23,-14.29,;23.56,-13.51,;23.56,-11.98,;24.9,-14.28,;26.22,-13.51,;26.22,-11.97,;27.56,-11.19,;27.55,-9.65,;28.88,-8.88,;28.87,-7.35,;27.56,-14.27,;27.57,-15.81,;28.89,-13.5,;30.22,-14.27,;30.22,-15.81,;31.57,-16.57,;32.89,-15.79,;31.56,-18.1,;32.9,-18.87,;34.23,-18.1,;35.55,-18.86,;36.89,-18.09,;38.23,-18.86,;39.55,-18.09,;32.9,-20.41,;31.58,-21.18,;34.23,-21.17,;34.24,-22.71,;32.91,-23.49,;32.91,-25.02,;34.24,-25.78,;31.59,-25.79,;31.59,-27.34,;32.92,-28.1,;32.93,-29.64,;34.26,-30.41,;35.59,-29.64,;36.94,-30.41,;30.25,-28.11,;28.92,-27.34,;30.25,-29.65,;31.6,-30.42,;31.6,-31.96,;30.26,-32.73,;28.93,-31.97,;30.27,-34.28,;28.93,-35.05,;27.6,-34.28,;26.26,-35.06,;24.93,-34.29,;23.59,-35.06,;22.26,-34.3,;28.94,-36.59,;30.27,-37.36,;27.61,-37.37,;27.61,-38.91,;26.27,-39.68,;26.28,-41.22,;27.62,-41.99,;24.94,-42,;24.95,-43.54,;26.28,-44.31,;26.29,-45.85,;27.63,-46.62,;28.96,-45.84,;30.3,-46.61,;23.62,-44.31,;22.28,-43.55,;23.62,-45.86,;24.96,-46.62,;24.96,-48.16,;26.29,-48.93,;26.3,-50.47,;27.63,-48.16,;22.29,-46.63,;20.95,-45.86,;19.62,-46.64,;18.29,-45.88,;18.28,-44.33,;19.61,-43.55,;20.95,-44.32,;16.94,-43.56,;16.94,-42.02,;15.61,-44.34,;15.6,-42.79,;26.26,-36.6,;24.93,-37.37,;23.6,-36.6,;22.27,-37.37,;22.27,-38.92,;23.62,-39.68,;24.94,-38.91,;20.94,-39.69,;19.6,-38.93,;20.94,-41.24,;19.59,-40.46,;28.92,-30.43,;27.59,-29.66,;26.26,-30.43,;24.93,-29.67,;24.92,-28.12,;26.25,-27.35,;27.59,-28.12,;23.58,-27.36,;23.57,-25.81,;22.25,-28.13,;22.23,-26.58,;35.56,-20.41,;36.9,-21.17,;36.9,-22.7,;38.23,-23.47,;39.56,-22.7,;39.55,-21.15,;38.22,-20.39,;40.9,-23.46,;40.91,-25,;42.23,-22.68,;42.23,-24.23,;28.88,-11.96,;30.21,-11.18,;30.2,-9.65,;31.53,-8.88,;32.87,-9.64,;32.88,-11.19,;31.55,-11.96,;34.2,-8.86,;35.54,-9.63,;34.2,-7.32,;35.53,-8.08,;22.23,-11.22,;22.22,-9.66,;20.89,-8.92,;20.88,-7.38,;22.22,-6.59,;23.55,-7.37,;23.56,-8.9,;22.21,-5.05,;23.55,-4.28,;20.87,-4.28,;22.2,-3.51,;11.54,-14.84,;10.21,-14.07,;8.89,-14.85,;8.91,-16.39,;10.22,-17.15,;11.54,-16.37,;12.89,-17.13,;14.21,-16.35,;15.55,-17.12,;7.56,-17.16,;7.56,-18.69,;6.22,-19.46,;6.22,-16.39,;4.88,-17.16,)| Show InChI InChI=1S/C130H163F18N21O14/c1-5-162(6-2)97-55-57-101-109(77-97)183-110-78-98(163(7-3)8-4)56-58-102(110)117(101)99-23-9-10-24-100(99)118(176)161-108(30-16-22-70-154)124(182)169(84-90-41-53-96(54-42-90)130(146,147)148)76-64-116(175)160-107(29-15-21-69-153)123(181)168(83-89-39-51-95(52-40-89)129(143,144)145)75-63-115(174)159-106(28-14-20-68-152)122(180)167(82-88-37-49-94(50-38-88)128(140,141)142)74-62-114(173)158-105(27-13-19-67-151)121(179)166(81-87-35-47-93(48-36-87)127(137,138)139)73-61-113(172)157-104(26-12-18-66-150)120(178)165(80-86-33-45-92(46-34-86)126(134,135)136)72-60-112(171)156-103(25-11-17-65-149)119(177)164(71-59-111(155)170)79-85-31-43-91(44-32-85)125(131,132)133/h9-10,23-24,31-58,77-78,103-108H,5-8,11-22,25-30,59-76,79-84,149-154H2,1-4H3,(H7-,155,156,157,158,159,160,161,170,171,172,173,174,175,176)/p+1/t103-,104-,105-,106-,107-,108-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238898
(CHEMBL4094101)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,wD:19.20,(20.03,-41.29,;18.7,-40.52,;18.7,-38.97,;20.03,-38.2,;21.36,-38.97,;17.35,-38.2,;17.34,-36.68,;16.01,-35.91,;14.69,-36.69,;13.35,-35.92,;13.34,-33.85,;11.99,-33.09,;11.99,-31.55,;13.32,-30.77,;14.66,-31.54,;14.66,-33.08,;15.99,-33.85,;15.99,-35.4,;17.34,-33.08,;18.7,-33.85,;18.7,-35.4,;20.03,-36.17,;20.03,-37.71,;21.36,-38.48,;22.7,-37.71,;20.05,-33.08,;20.05,-31.52,;21.39,-33.85,;21.39,-35.39,;22.73,-36.15,;24.06,-35.38,;24.06,-33.84,;25.4,-36.15,;26.73,-35.37,;26.72,-33.83,;28.05,-33.06,;28.05,-31.52,;29.38,-30.75,;29.38,-29.21,;28.06,-36.14,;28.07,-37.68,;29.39,-35.37,;30.73,-36.13,;30.73,-37.67,;32.07,-38.44,;32.07,-39.98,;33.4,-37.67,;29.39,-33.83,;30.72,-33.05,;32.05,-33.82,;33.38,-33.05,;33.38,-31.51,;32.04,-30.74,;30.71,-31.52,;22.72,-33.07,;22.72,-31.53,;24.05,-30.77,;24.05,-29.23,;22.71,-28.46,;21.38,-29.24,;21.39,-30.78,;12.01,-36.7,;10.68,-35.94,;9.36,-36.72,;9.38,-38.26,;10.7,-39.02,;12.03,-38.24,;13.37,-39,;14.69,-38.23,;16.03,-38.99,;8.03,-39.03,;6.69,-38.26,;5.36,-39.03,;8.03,-40.57,;6.69,-41.34,)| Show InChI InChI=1S/C60H77N9O6/c1-5-66(6-2)45-29-31-49-53(39-45)75-54-40-46(67(7-3)8-4)30-32-50(54)57(49)47-25-15-16-26-48(47)58(72)65-52(28-18-20-36-62)60(74)69(42-44-23-13-10-14-24-44)38-34-56(71)64-51(27-17-19-35-61)59(73)68(37-33-55(63)70)41-43-21-11-9-12-22-43/h9-16,21-26,29-32,39-40,51-52H,5-8,17-20,27-28,33-38,41-42,61-62H2,1-4H3,(H3-,63,64,65,70,71,72)/p+1/t51-,52-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 273 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238898
(CHEMBL4094101)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,wD:19.20,(20.03,-41.29,;18.7,-40.52,;18.7,-38.97,;20.03,-38.2,;21.36,-38.97,;17.35,-38.2,;17.34,-36.68,;16.01,-35.91,;14.69,-36.69,;13.35,-35.92,;13.34,-33.85,;11.99,-33.09,;11.99,-31.55,;13.32,-30.77,;14.66,-31.54,;14.66,-33.08,;15.99,-33.85,;15.99,-35.4,;17.34,-33.08,;18.7,-33.85,;18.7,-35.4,;20.03,-36.17,;20.03,-37.71,;21.36,-38.48,;22.7,-37.71,;20.05,-33.08,;20.05,-31.52,;21.39,-33.85,;21.39,-35.39,;22.73,-36.15,;24.06,-35.38,;24.06,-33.84,;25.4,-36.15,;26.73,-35.37,;26.72,-33.83,;28.05,-33.06,;28.05,-31.52,;29.38,-30.75,;29.38,-29.21,;28.06,-36.14,;28.07,-37.68,;29.39,-35.37,;30.73,-36.13,;30.73,-37.67,;32.07,-38.44,;32.07,-39.98,;33.4,-37.67,;29.39,-33.83,;30.72,-33.05,;32.05,-33.82,;33.38,-33.05,;33.38,-31.51,;32.04,-30.74,;30.71,-31.52,;22.72,-33.07,;22.72,-31.53,;24.05,-30.77,;24.05,-29.23,;22.71,-28.46,;21.38,-29.24,;21.39,-30.78,;12.01,-36.7,;10.68,-35.94,;9.36,-36.72,;9.38,-38.26,;10.7,-39.02,;12.03,-38.24,;13.37,-39,;14.69,-38.23,;16.03,-38.99,;8.03,-39.03,;6.69,-38.26,;5.36,-39.03,;8.03,-40.57,;6.69,-41.34,)| Show InChI InChI=1S/C60H77N9O6/c1-5-66(6-2)45-29-31-49-53(39-45)75-54-40-46(67(7-3)8-4)30-32-50(54)57(49)47-25-15-16-26-48(47)58(72)65-52(28-18-20-36-62)60(74)69(42-44-23-13-10-14-24-44)38-34-56(71)64-51(27-17-19-35-61)59(73)68(37-33-55(63)70)41-43-21-11-9-12-22-43/h9-16,21-26,29-32,39-40,51-52H,5-8,17-20,27-28,33-38,41-42,61-62H2,1-4H3,(H3-,63,64,65,70,71,72)/p+1/t51-,52-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 273 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238898
(CHEMBL4094101)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,wD:19.20,(20.03,-41.29,;18.7,-40.52,;18.7,-38.97,;20.03,-38.2,;21.36,-38.97,;17.35,-38.2,;17.34,-36.68,;16.01,-35.91,;14.69,-36.69,;13.35,-35.92,;13.34,-33.85,;11.99,-33.09,;11.99,-31.55,;13.32,-30.77,;14.66,-31.54,;14.66,-33.08,;15.99,-33.85,;15.99,-35.4,;17.34,-33.08,;18.7,-33.85,;18.7,-35.4,;20.03,-36.17,;20.03,-37.71,;21.36,-38.48,;22.7,-37.71,;20.05,-33.08,;20.05,-31.52,;21.39,-33.85,;21.39,-35.39,;22.73,-36.15,;24.06,-35.38,;24.06,-33.84,;25.4,-36.15,;26.73,-35.37,;26.72,-33.83,;28.05,-33.06,;28.05,-31.52,;29.38,-30.75,;29.38,-29.21,;28.06,-36.14,;28.07,-37.68,;29.39,-35.37,;30.73,-36.13,;30.73,-37.67,;32.07,-38.44,;32.07,-39.98,;33.4,-37.67,;29.39,-33.83,;30.72,-33.05,;32.05,-33.82,;33.38,-33.05,;33.38,-31.51,;32.04,-30.74,;30.71,-31.52,;22.72,-33.07,;22.72,-31.53,;24.05,-30.77,;24.05,-29.23,;22.71,-28.46,;21.38,-29.24,;21.39,-30.78,;12.01,-36.7,;10.68,-35.94,;9.36,-36.72,;9.38,-38.26,;10.7,-39.02,;12.03,-38.24,;13.37,-39,;14.69,-38.23,;16.03,-38.99,;8.03,-39.03,;6.69,-38.26,;5.36,-39.03,;8.03,-40.57,;6.69,-41.34,)| Show InChI InChI=1S/C60H77N9O6/c1-5-66(6-2)45-29-31-49-53(39-45)75-54-40-46(67(7-3)8-4)30-32-50(54)57(49)47-25-15-16-26-48(47)58(72)65-52(28-18-20-36-62)60(74)69(42-44-23-13-10-14-24-44)38-34-56(71)64-51(27-17-19-35-61)59(73)68(37-33-55(63)70)41-43-21-11-9-12-22-43/h9-16,21-26,29-32,39-40,51-52H,5-8,17-20,27-28,33-38,41-42,61-62H2,1-4H3,(H3-,63,64,65,70,71,72)/p+1/t51-,52-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 273 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238897
(CHEMBL4067361)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wD:19.20,(23.05,-44.14,;21.72,-43.36,;21.72,-41.82,;23.05,-41.05,;24.38,-41.82,;20.37,-41.05,;20.36,-39.52,;19.03,-38.75,;17.71,-39.53,;16.37,-38.76,;16.36,-36.7,;15.01,-35.94,;15.01,-34.4,;16.34,-33.62,;17.67,-34.39,;17.67,-35.92,;19.01,-36.69,;19.01,-38.25,;20.36,-35.92,;21.71,-36.69,;21.71,-38.25,;23.05,-39.02,;23.05,-40.56,;24.38,-41.33,;25.71,-40.56,;23.06,-35.92,;23.06,-34.37,;24.41,-36.69,;24.41,-38.23,;25.75,-39,;27.08,-38.23,;28.41,-38.99,;27.07,-36.69,;25.74,-35.92,;25.73,-34.38,;27.07,-33.62,;27.07,-32.08,;25.73,-31.31,;24.39,-32.09,;24.4,-33.63,;15.03,-39.55,;13.7,-38.79,;12.38,-39.56,;12.4,-41.11,;13.72,-41.86,;15.04,-41.09,;16.38,-41.85,;17.71,-41.07,;19.05,-41.84,;11.05,-41.88,;9.71,-41.11,;8.38,-41.88,;11.05,-43.42,;9.71,-44.19,)| Show InChI InChI=1S/C44H54N6O4/c1-5-48(6-2)32-21-23-36-39(28-32)54-40-29-33(49(7-3)8-4)22-24-37(40)42(36)34-18-12-13-19-35(34)43(52)47-38(20-14-15-26-45)44(53)50(27-25-41(46)51)30-31-16-10-9-11-17-31/h9-13,16-19,21-24,28-29,38H,5-8,14-15,20,25-27,30,45H2,1-4H3,(H2-,46,47,51,52)/p+1/t38-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 759 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238897
(CHEMBL4067361)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wD:19.20,(23.05,-44.14,;21.72,-43.36,;21.72,-41.82,;23.05,-41.05,;24.38,-41.82,;20.37,-41.05,;20.36,-39.52,;19.03,-38.75,;17.71,-39.53,;16.37,-38.76,;16.36,-36.7,;15.01,-35.94,;15.01,-34.4,;16.34,-33.62,;17.67,-34.39,;17.67,-35.92,;19.01,-36.69,;19.01,-38.25,;20.36,-35.92,;21.71,-36.69,;21.71,-38.25,;23.05,-39.02,;23.05,-40.56,;24.38,-41.33,;25.71,-40.56,;23.06,-35.92,;23.06,-34.37,;24.41,-36.69,;24.41,-38.23,;25.75,-39,;27.08,-38.23,;28.41,-38.99,;27.07,-36.69,;25.74,-35.92,;25.73,-34.38,;27.07,-33.62,;27.07,-32.08,;25.73,-31.31,;24.39,-32.09,;24.4,-33.63,;15.03,-39.55,;13.7,-38.79,;12.38,-39.56,;12.4,-41.11,;13.72,-41.86,;15.04,-41.09,;16.38,-41.85,;17.71,-41.07,;19.05,-41.84,;11.05,-41.88,;9.71,-41.11,;8.38,-41.88,;11.05,-43.42,;9.71,-44.19,)| Show InChI InChI=1S/C44H54N6O4/c1-5-48(6-2)32-21-23-36-39(28-32)54-40-29-33(49(7-3)8-4)22-24-37(40)42(36)34-18-12-13-19-35(34)43(52)47-38(20-14-15-26-45)44(53)50(27-25-41(46)51)30-31-16-10-9-11-17-31/h9-13,16-19,21-24,28-29,38H,5-8,14-15,20,25-27,30,45H2,1-4H3,(H2-,46,47,51,52)/p+1/t38-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 759 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238897
(CHEMBL4067361)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wD:19.20,(23.05,-44.14,;21.72,-43.36,;21.72,-41.82,;23.05,-41.05,;24.38,-41.82,;20.37,-41.05,;20.36,-39.52,;19.03,-38.75,;17.71,-39.53,;16.37,-38.76,;16.36,-36.7,;15.01,-35.94,;15.01,-34.4,;16.34,-33.62,;17.67,-34.39,;17.67,-35.92,;19.01,-36.69,;19.01,-38.25,;20.36,-35.92,;21.71,-36.69,;21.71,-38.25,;23.05,-39.02,;23.05,-40.56,;24.38,-41.33,;25.71,-40.56,;23.06,-35.92,;23.06,-34.37,;24.41,-36.69,;24.41,-38.23,;25.75,-39,;27.08,-38.23,;28.41,-38.99,;27.07,-36.69,;25.74,-35.92,;25.73,-34.38,;27.07,-33.62,;27.07,-32.08,;25.73,-31.31,;24.39,-32.09,;24.4,-33.63,;15.03,-39.55,;13.7,-38.79,;12.38,-39.56,;12.4,-41.11,;13.72,-41.86,;15.04,-41.09,;16.38,-41.85,;17.71,-41.07,;19.05,-41.84,;11.05,-41.88,;9.71,-41.11,;8.38,-41.88,;11.05,-43.42,;9.71,-44.19,)| Show InChI InChI=1S/C44H54N6O4/c1-5-48(6-2)32-21-23-36-39(28-32)54-40-29-33(49(7-3)8-4)22-24-37(40)42(36)34-18-12-13-19-35(34)43(52)47-38(20-14-15-26-45)44(53)50(27-25-41(46)51)30-31-16-10-9-11-17-31/h9-13,16-19,21-24,28-29,38H,5-8,14-15,20,25-27,30,45H2,1-4H3,(H2-,46,47,51,52)/p+1/t38-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 759 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238905
(CHEMBL4084411)Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C72H129N23O13/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-33-58(98)87-52(34-36-56(74)96)65(104)90-51(32-26-41-85-72(81)82)64(103)93-54(42-45(2)3)67(106)94-55(43-47-27-19-18-20-28-47)68(107)91-53(35-37-57(75)97)66(105)95-60(46(4)5)69(108)92-49(29-22-23-38-73)62(101)86-44-59(99)88-50(31-25-40-84-71(79)80)63(102)89-48(61(76)100)30-24-39-83-70(77)78/h18-20,27-28,45-46,48-55,60H,6-17,21-26,29-44,73H2,1-5H3,(H2,74,96)(H2,75,97)(H2,76,100)(H,86,101)(H,87,98)(H,88,99)(H,89,102)(H,90,104)(H,91,107)(H,92,108)(H,93,103)(H,94,106)(H,95,105)(H4,77,78,83)(H4,79,80,84)(H4,81,82,85)/t48-,49-,50-,51-,52-,53-,54-,55-,60-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238905
(CHEMBL4084411)Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C72H129N23O13/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-33-58(98)87-52(34-36-56(74)96)65(104)90-51(32-26-41-85-72(81)82)64(103)93-54(42-45(2)3)67(106)94-55(43-47-27-19-18-20-28-47)68(107)91-53(35-37-57(75)97)66(105)95-60(46(4)5)69(108)92-49(29-22-23-38-73)62(101)86-44-59(99)88-50(31-25-40-84-71(79)80)63(102)89-48(61(76)100)30-24-39-83-70(77)78/h18-20,27-28,45-46,48-55,60H,6-17,21-26,29-44,73H2,1-5H3,(H2,74,96)(H2,75,97)(H2,76,100)(H,86,101)(H,87,98)(H,88,99)(H,89,102)(H,90,104)(H,91,107)(H,92,108)(H,93,103)(H,94,106)(H,95,105)(H4,77,78,83)(H4,79,80,84)(H4,81,82,85)/t48-,49-,50-,51-,52-,53-,54-,55-,60-/m0/s1 | PDB
NCI pathway
Reactome pathway
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| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
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