Found 334 hits with Last Name = 'mountford' and Initial = 'sj' 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 |
|---|
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50528182
(CHEMBL4454036)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C104H166N34O23/c1-10-55(7)81(105)97(158)128-68-36-38-79(142)121-51-75(93(154)133-73(49-59-26-32-62(140)33-27-59)91(152)126-66(20-14-42-119-103(113)114)87(148)131-71(46-53(3)4)89(150)124-64(18-12-40-117-101(109)110)85(146)123-57(9)83(107)144)135-95(156)77-22-16-44-137(77)99(160)69(129-98(159)82(106)56(8)11-2)37-39-80(143)122-52-76(136-96(157)78-23-17-45-138(78)100(68)161)94(155)134-74(50-60-28-34-63(141)35-29-60)92(153)127-67(21-15-43-120-104(115)116)88(149)132-72(47-54(5)6)90(151)125-65(19-13-41-118-102(111)112)86(147)130-70(84(108)145)48-58-24-30-61(139)31-25-58/h24-35,53-57,64-78,81-82,139-141H,10-23,36-52,105-106H2,1-9H3,(H2,107,144)(H2,108,145)(H,121,142)(H,122,143)(H,123,146)(H,124,150)(H,125,151)(H,126,152)(H,127,153)(H,128,158)(H,129,159)(H,130,147)(H,131,148)(H,132,149)(H,133,154)(H,134,155)(H,135,156)(H,136,157)(H4,109,110,117)(H4,111,112,118)(H4,113,114,119)(H4,115,116,120)/t55-,56-,57-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,81-,82-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.257 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y1R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ... |
J Med Chem 63: 5274-5286 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00027
BindingDB Entry DOI: 10.7270/Q2RB782R |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50528179
(CHEMBL4476074)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C107H164N34O24/c1-8-56(5)84(108)100(162)131-71-38-40-82(146)124-53-78(96(158)136-76(51-61-26-34-65(144)35-27-61)94(156)128-67(16-10-42-120-104(112)113)89(151)126-58(7)88(150)127-68(17-11-43-121-105(114)115)90(152)133-73(86(110)148)49-59-22-30-63(142)31-23-59)138-98(160)80-20-14-46-140(80)102(164)72(132-101(163)85(109)57(6)9-2)39-41-83(147)125-54-79(139-99(161)81-21-15-47-141(81)103(71)165)97(159)137-77(52-62-28-36-66(145)37-29-62)95(157)130-70(19-13-45-123-107(118)119)92(154)135-75(48-55(3)4)93(155)129-69(18-12-44-122-106(116)117)91(153)134-74(87(111)149)50-60-24-32-64(143)33-25-60/h22-37,55-58,67-81,84-85,142-145H,8-21,38-54,108-109H2,1-7H3,(H2,110,148)(H2,111,149)(H,124,146)(H,125,147)(H,126,151)(H,127,150)(H,128,156)(H,129,155)(H,130,157)(H,131,162)(H,132,163)(H,133,152)(H,134,153)(H,135,154)(H,136,158)(H,137,159)(H,138,160)(H,139,161)(H4,112,113,120)(H4,114,115,121)(H4,116,117,122)(H4,118,119,123)/t56-,57-,58-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,84-,85-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.275 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y1R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ... |
J Med Chem 63: 5274-5286 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00027
BindingDB Entry DOI: 10.7270/Q2RB782R |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50528186
(CHEMBL4445317)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C107H163N31O24/c1-10-57(7)85(108)101(159)127-71-38-40-83(143)121-53-79(97(155)133-77(51-62-26-34-66(141)35-27-62)95(153)125-69(18-13-43-119-106(114)115)91(149)131-75(47-55(3)4)93(151)123-59(9)89(147)129-73(87(110)145)49-60-22-30-64(139)31-23-60)135-99(157)81-20-15-45-137(81)103(161)72(128-102(160)86(109)58(8)11-2)39-41-84(144)122-54-80(136-100(158)82-21-16-46-138(82)104(71)162)98(156)134-78(52-63-28-36-67(142)37-29-63)96(154)126-70(19-14-44-120-107(116)117)92(150)132-76(48-56(5)6)94(152)124-68(17-12-42-118-105(112)113)90(148)130-74(88(111)146)50-61-24-32-65(140)33-25-61/h22-37,55-59,68-82,85-86,139-142H,10-21,38-54,108-109H2,1-9H3,(H2,110,145)(H2,111,146)(H,121,143)(H,122,144)(H,123,151)(H,124,152)(H,125,153)(H,126,154)(H,127,159)(H,128,160)(H,129,147)(H,130,148)(H,131,149)(H,132,150)(H,133,155)(H,134,156)(H,135,157)(H,136,158)(H4,112,113,118)(H4,114,115,119)(H4,116,117,120)/t57-,58-,59-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,85-,86-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.363 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y1R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ... |
J Med Chem 63: 5274-5286 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00027
BindingDB Entry DOI: 10.7270/Q2RB782R |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50528181
(CHEMBL4519035)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C107H163N31O24/c1-10-57(7)85(108)101(159)127-71-38-40-83(143)121-53-79(97(155)133-77(51-62-26-34-66(141)35-27-62)93(151)123-59(9)89(147)131-75(47-55(3)4)94(152)124-68(17-12-42-118-105(112)113)90(148)129-73(87(110)145)49-60-22-30-64(139)31-23-60)135-99(157)81-20-15-45-137(81)103(161)72(128-102(160)86(109)58(8)11-2)39-41-84(144)122-54-80(136-100(158)82-21-16-46-138(82)104(71)162)98(156)134-78(52-63-28-36-67(142)37-29-63)96(154)126-70(19-14-44-120-107(116)117)92(150)132-76(48-56(5)6)95(153)125-69(18-13-43-119-106(114)115)91(149)130-74(88(111)146)50-61-24-32-65(140)33-25-61/h22-37,55-59,68-82,85-86,139-142H,10-21,38-54,108-109H2,1-9H3,(H2,110,145)(H2,111,146)(H,121,143)(H,122,144)(H,123,151)(H,124,152)(H,125,153)(H,126,154)(H,127,159)(H,128,160)(H,129,148)(H,130,149)(H,131,147)(H,132,150)(H,133,155)(H,134,156)(H,135,157)(H,136,158)(H4,112,113,118)(H4,114,115,119)(H4,116,117,120)/t57-,58-,59-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,85-,86-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.575 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y1R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ... |
J Med Chem 63: 5274-5286 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00027
BindingDB Entry DOI: 10.7270/Q2RB782R |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50409214
(CHEMBL2110365 | GR-231118)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C110H170N34O24/c1-9-59(7)87(111)103(165)133-73-39-41-85(149)127-55-81(99(161)139-79(53-63-27-35-67(147)36-28-63)97(159)131-71(19-13-45-125-109(119)120)93(155)137-77(49-57(3)4)95(157)129-69(17-11-43-123-107(115)116)91(153)135-75(89(113)151)51-61-23-31-65(145)32-24-61)142-102(164)84-22-16-48-144(84)106(168)74(134-104(166)88(112)60(8)10-2)40-42-86(150)128-56-82(141-101(163)83-21-15-47-143(83)105(73)167)100(162)140-80(54-64-29-37-68(148)38-30-64)98(160)132-72(20-14-46-126-110(121)122)94(156)138-78(50-58(5)6)96(158)130-70(18-12-44-124-108(117)118)92(154)136-76(90(114)152)52-62-25-33-66(146)34-26-62/h23-38,57-60,69-84,87-88,145-148H,9-22,39-56,111-112H2,1-8H3,(H2,113,151)(H2,114,152)(H,127,149)(H,128,150)(H,129,157)(H,130,158)(H,131,159)(H,132,160)(H,133,165)(H,134,166)(H,135,153)(H,136,154)(H,137,155)(H,138,156)(H,139,161)(H,140,162)(H,141,163)(H,142,164)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y1R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ... |
J Med Chem 63: 5274-5286 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00027
BindingDB Entry DOI: 10.7270/Q2RB782R |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50528185
(CHEMBL4573545)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C104H166N34O23/c1-10-55(7)81(105)97(158)128-68-36-38-79(142)121-51-75(93(154)123-57(9)85(146)124-64(18-12-40-117-101(109)110)88(149)132-72(46-53(3)4)90(151)125-65(19-13-41-118-102(111)112)86(147)130-70(83(107)144)48-58-24-30-61(139)31-25-58)135-95(156)77-22-16-44-137(77)99(160)69(129-98(159)82(106)56(8)11-2)37-39-80(143)122-52-76(136-96(157)78-23-17-45-138(78)100(68)161)94(155)134-74(50-60-28-34-63(141)35-29-60)92(153)127-67(21-15-43-120-104(115)116)89(150)133-73(47-54(5)6)91(152)126-66(20-14-42-119-103(113)114)87(148)131-71(84(108)145)49-59-26-32-62(140)33-27-59/h24-35,53-57,64-78,81-82,139-141H,10-23,36-52,105-106H2,1-9H3,(H2,107,144)(H2,108,145)(H,121,142)(H,122,143)(H,123,154)(H,124,146)(H,125,151)(H,126,152)(H,127,153)(H,128,158)(H,129,159)(H,130,147)(H,131,148)(H,132,149)(H,133,150)(H,134,155)(H,135,156)(H,136,157)(H4,109,110,117)(H4,111,112,118)(H4,113,114,119)(H4,115,116,120)/t55-,56-,57-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,81-,82-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y1R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ... |
J Med Chem 63: 5274-5286 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00027
BindingDB Entry DOI: 10.7270/Q2RB782R |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50528183
(CHEMBL4540843)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C185H287N53O54S2/c1-20-92(10)144(175(286)228-125(84-137(190)248)164(275)215-115(64-75-294-19)159(270)222-121(78-90(6)7)167(278)232-145(98(16)239)176(287)219-116(33-24-68-203-185(198)199)178(289)236-71-27-36-131(236)170(281)216-110(32-23-67-202-184(196)197)154(265)220-118(147(191)258)79-100-39-47-104(241)48-40-100)231-168(279)123(81-102-43-51-106(243)52-44-102)225-155(266)109(31-22-66-201-183(194)195)211-153(264)108(30-21-65-200-182(192)193)212-162(273)119(76-88(2)3)223-166(277)127(86-142(256)257)221-150(261)95(13)205-148(259)94(12)207-160(271)122(80-101-41-49-105(242)50-42-101)224-158(269)111(55-59-134(187)245)210-149(260)96(14)206-152(263)114(63-74-293-18)214-156(267)112(56-60-135(188)246)213-157(268)113(57-61-139(250)251)217-171(282)132-37-29-73-238(132)181(292)146(99(17)240)233-151(262)97(15)208-161(272)124(83-136(189)247)226-165(276)126(85-141(254)255)209-138(249)87-204-169(280)129-34-25-70-235(129)180(291)128(82-103-45-53-107(244)54-46-103)229-174(285)143(91(8)9)230-173(284)133-38-28-72-237(133)179(290)117(58-62-140(252)253)218-163(274)120(77-89(4)5)227-172(283)130-35-26-69-234(130)177(288)93(11)186/h39-54,88-99,108-133,143-146,239-244H,20-38,55-87,186H2,1-19H3,(H2,187,245)(H2,188,246)(H2,189,247)(H2,190,248)(H2,191,258)(H,204,280)(H,205,259)(H,206,263)(H,207,271)(H,208,272)(H,209,249)(H,210,260)(H,211,264)(H,212,273)(H,213,268)(H,214,267)(H,215,275)(H,216,281)(H,217,282)(H,218,274)(H,219,287)(H,220,265)(H,221,261)(H,222,270)(H,223,277)(H,224,269)(H,225,266)(H,226,276)(H,227,283)(H,228,286)(H,229,285)(H,230,284)(H,231,279)(H,232,278)(H,233,262)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H4,192,193,200)(H4,194,195,201)(H4,196,197,202)(H4,198,199,203)/t92-,93-,94-,95-,96-,97-,98+,99+,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,143-,144-,145-,146-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y4R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ... |
J Med Chem 63: 5274-5286 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00027
BindingDB Entry DOI: 10.7270/Q2RB782R |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50528184
(CHEMBL4534028)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NCC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C112H174N34O24/c1-9-61(7)89(113)105(167)137-77-39-41-87(151)125-49-43-76(98(160)144-84(58-66-29-37-70(150)38-30-66)102(164)134-74(20-14-48-130-112(123)124)96(158)142-82(54-60(5)6)100(162)132-72(18-12-46-128-110(119)120)94(156)140-80(92(116)154)56-64-25-33-68(148)34-26-64)136-104(166)86-22-16-52-146(86)108(170)78(138-106(168)90(114)62(8)10-2)40-42-88(152)126-50-44-75(135-103(165)85-21-15-51-145(85)107(77)169)97(159)143-83(57-65-27-35-69(149)36-28-65)101(163)133-73(19-13-47-129-111(121)122)95(157)141-81(53-59(3)4)99(161)131-71(17-11-45-127-109(117)118)93(155)139-79(91(115)153)55-63-23-31-67(147)32-24-63/h23-38,59-62,71-86,89-90,147-150H,9-22,39-58,113-114H2,1-8H3,(H2,115,153)(H2,116,154)(H,125,151)(H,126,152)(H,131,161)(H,132,162)(H,133,163)(H,134,164)(H,135,165)(H,136,166)(H,137,167)(H,138,168)(H,139,155)(H,140,156)(H,141,157)(H,142,158)(H,143,159)(H,144,160)(H4,117,118,127)(H4,119,120,128)(H4,121,122,129)(H4,123,124,130)/t61-,62-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,89-,90-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y1R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ... |
J Med Chem 63: 5274-5286 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00027
BindingDB Entry DOI: 10.7270/Q2RB782R |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50528180
(CHEMBL4578617)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NCCC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C114H178N34O24/c1-9-63(7)91(115)107(169)139-79-43-45-89(153)127-47-11-19-78(100(162)146-86(60-68-33-41-72(152)42-34-68)104(166)136-76(24-16-52-132-114(125)126)98(160)144-84(56-62(5)6)102(164)134-74(22-14-50-130-112(121)122)96(158)142-82(94(118)156)58-66-29-37-70(150)38-30-66)138-106(168)88-26-18-54-148(88)110(172)80(140-108(170)92(116)64(8)10-2)44-46-90(154)128-48-12-20-77(137-105(167)87-25-17-53-147(87)109(79)171)99(161)145-85(59-67-31-39-71(151)40-32-67)103(165)135-75(23-15-51-131-113(123)124)97(159)143-83(55-61(3)4)101(163)133-73(21-13-49-129-111(119)120)95(157)141-81(93(117)155)57-65-27-35-69(149)36-28-65/h27-42,61-64,73-88,91-92,149-152H,9-26,43-60,115-116H2,1-8H3,(H2,117,155)(H2,118,156)(H,127,153)(H,128,154)(H,133,163)(H,134,164)(H,135,165)(H,136,166)(H,137,167)(H,138,168)(H,139,169)(H,140,170)(H,141,157)(H,142,158)(H,143,159)(H,144,160)(H,145,161)(H,146,162)(H4,119,120,129)(H4,121,122,130)(H4,123,124,131)(H4,125,126,132)/t63-,64-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,91-,92-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y1R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ... |
J Med Chem 63: 5274-5286 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00027
BindingDB Entry DOI: 10.7270/Q2RB782R |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50005530
(CHEMBL267633 | D-Tyr-Pro-Ser-Lys-Pro-Asp-Asn-Pro-G...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C190H287N55O57/c1-16-94(9)149(180(296)235-129(81-141(194)255)169(285)227-124(74-93(7)8)172(288)240-150(95(10)17-2)181(297)241-151(100(15)248)182(298)222-116(32-23-67-209-190(203)204)156(272)221-118(57-60-140(193)254)161(277)219-114(30-21-65-207-188(199)200)157(273)224-121(152(196)268)76-102-39-49-108(250)50-40-102)239-173(289)127(79-105-45-55-111(253)56-46-105)230-168(284)128(80-106-86-205-90-211-106)231-159(275)115(31-22-66-208-189(201)202)220-165(281)123(73-92(5)6)225-155(271)97(12)213-174(290)134(88-246)237-167(283)126(78-104-43-53-110(252)54-44-104)229-166(282)125(77-103-41-51-109(251)52-42-103)228-158(274)113(29-20-64-206-187(197)198)217-153(269)96(11)212-163(279)122(72-91(3)4)226-170(286)131(84-147(264)265)233-162(278)119(59-62-145(260)261)218-154(270)98(13)214-177(293)137-34-25-68-242(137)183(299)99(14)215-164(280)130(83-146(262)263)232-160(276)117(58-61-144(258)259)216-143(257)87-210-176(292)136-33-24-70-244(136)186(302)133(82-142(195)256)236-171(287)132(85-148(266)267)234-178(294)139-36-27-71-245(139)185(301)120(28-18-19-63-191)223-175(291)135(89-247)238-179(295)138-35-26-69-243(138)184(300)112(192)75-101-37-47-107(249)48-38-101/h37-56,86,90-100,112-139,149-151,246-253H,16-36,57-85,87-89,191-192H2,1-15H3,(H2,193,254)(H2,194,255)(H2,195,256)(H2,196,268)(H,205,211)(H,210,292)(H,212,279)(H,213,290)(H,214,293)(H,215,280)(H,216,257)(H,217,269)(H,218,270)(H,219,277)(H,220,281)(H,221,272)(H,222,298)(H,223,291)(H,224,273)(H,225,271)(H,226,286)(H,227,285)(H,228,274)(H,229,282)(H,230,284)(H,231,275)(H,232,276)(H,233,278)(H,234,294)(H,235,296)(H,236,287)(H,237,283)(H,238,295)(H,239,289)(H,240,288)(H,241,297)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H4,197,198,206)(H4,199,200,207)(H4,201,202,208)(H4,203,204,209)/t94-,95-,96-,97-,98-,99-,100+,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,149-,150-,151-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y1R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ... |
J Med Chem 63: 5274-5286 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00027
BindingDB Entry DOI: 10.7270/Q2RB782R |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50528178
(CHEMBL4468261)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C116H182N34O24/c1-9-65(7)93(117)109(171)141-81-45-47-91(155)129-49-13-11-22-76(100(162)148-88(62-70-35-43-74(154)44-36-70)106(168)138-80(26-18-54-134-116(127)128)102(164)146-86(58-64(5)6)104(166)136-78(24-16-52-132-114(123)124)98(160)144-84(96(120)158)60-68-31-39-72(152)40-32-68)140-108(170)90-28-20-56-150(90)112(174)82(142-110(172)94(118)66(8)10-2)46-48-92(156)130-50-14-12-21-75(139-107(169)89-27-19-55-149(89)111(81)173)99(161)147-87(61-69-33-41-73(153)42-34-69)105(167)137-79(25-17-53-133-115(125)126)101(163)145-85(57-63(3)4)103(165)135-77(23-15-51-131-113(121)122)97(159)143-83(95(119)157)59-67-29-37-71(151)38-30-67/h29-44,63-66,75-90,93-94,151-154H,9-28,45-62,117-118H2,1-8H3,(H2,119,157)(H2,120,158)(H,129,155)(H,130,156)(H,135,165)(H,136,166)(H,137,167)(H,138,168)(H,139,169)(H,140,170)(H,141,171)(H,142,172)(H,143,159)(H,144,160)(H,145,163)(H,146,164)(H,147,161)(H,148,162)(H4,121,122,131)(H4,123,124,132)(H4,125,126,133)(H4,127,128,134)/t65-,66-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,93-,94-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y1R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ... |
J Med Chem 63: 5274-5286 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00027
BindingDB Entry DOI: 10.7270/Q2RB782R |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50331048
(CHEMBL1277437 | ethyl 2-acetamido-7-hydroxy-4-(qui...)Show SMILES CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2C1c1cnc2ccccc2c1 |c:5| Show InChI InChI=1S/C23H20N2O5/c1-3-29-23(28)21-20(15-10-14-6-4-5-7-18(14)24-12-15)17-9-8-16(27)11-19(17)30-22(21)25-13(2)26/h4-12,20,27H,3H2,1-2H3,(H,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50528187
(CHEMBL4572358)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C104H156N28O24/c1-11-55(7)83(105)99(153)121-69-37-39-81(137)115-51-77(95(149)127-75(49-61-25-33-65(135)34-26-61)92(146)118-58(10)88(142)125-74(46-54(5)6)93(147)119-67(17-13-41-113-103(109)110)89(143)124-72(86(108)140)48-60-23-31-64(134)32-24-60)129-97(151)79-19-15-43-131(79)101(155)70(122-100(154)84(106)56(8)12-2)38-40-82(138)116-52-78(130-98(152)80-20-16-44-132(80)102(69)156)96(150)128-76(50-62-27-35-66(136)36-28-62)94(148)120-68(18-14-42-114-104(111)112)90(144)126-73(45-53(3)4)91(145)117-57(9)87(141)123-71(85(107)139)47-59-21-29-63(133)30-22-59/h21-36,53-58,67-80,83-84,133-136H,11-20,37-52,105-106H2,1-10H3,(H2,107,139)(H2,108,140)(H,115,137)(H,116,138)(H,117,145)(H,118,146)(H,119,147)(H,120,148)(H,121,153)(H,122,154)(H,123,141)(H,124,143)(H,125,142)(H,126,144)(H,127,149)(H,128,150)(H,129,151)(H,130,152)(H4,109,110,113)(H4,111,112,114)/t55-,56-,57-,58-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,83-,84-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y1R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ... |
J Med Chem 63: 5274-5286 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00027
BindingDB Entry DOI: 10.7270/Q2RB782R |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50528180
(CHEMBL4578617)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NCCC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C114H178N34O24/c1-9-63(7)91(115)107(169)139-79-43-45-89(153)127-47-11-19-78(100(162)146-86(60-68-33-41-72(152)42-34-68)104(166)136-76(24-16-52-132-114(125)126)98(160)144-84(56-62(5)6)102(164)134-74(22-14-50-130-112(121)122)96(158)142-82(94(118)156)58-66-29-37-70(150)38-30-66)138-106(168)88-26-18-54-148(88)110(172)80(140-108(170)92(116)64(8)10-2)44-46-90(154)128-48-12-20-77(137-105(167)87-25-17-53-147(87)109(79)171)99(161)145-85(59-67-31-39-71(151)40-32-67)103(165)135-75(23-15-51-131-113(123)124)97(159)143-83(55-61(3)4)101(163)133-73(21-13-49-129-111(119)120)95(157)141-81(93(117)155)57-65-27-35-69(149)36-28-65/h27-42,61-64,73-88,91-92,149-152H,9-26,43-60,115-116H2,1-8H3,(H2,117,155)(H2,118,156)(H,127,153)(H,128,154)(H,133,163)(H,134,164)(H,135,165)(H,136,166)(H,137,167)(H,138,168)(H,139,169)(H,140,170)(H,141,157)(H,142,158)(H,143,159)(H,144,160)(H,145,161)(H,146,162)(H4,119,120,129)(H4,121,122,130)(H4,123,124,131)(H4,125,126,132)/t63-,64-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,91-,92-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y4R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ... |
J Med Chem 63: 5274-5286 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00027
BindingDB Entry DOI: 10.7270/Q2RB782R |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50409214
(CHEMBL2110365 | GR-231118)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C110H170N34O24/c1-9-59(7)87(111)103(165)133-73-39-41-85(149)127-55-81(99(161)139-79(53-63-27-35-67(147)36-28-63)97(159)131-71(19-13-45-125-109(119)120)93(155)137-77(49-57(3)4)95(157)129-69(17-11-43-123-107(115)116)91(153)135-75(89(113)151)51-61-23-31-65(145)32-24-61)142-102(164)84-22-16-48-144(84)106(168)74(134-104(166)88(112)60(8)10-2)40-42-86(150)128-56-82(141-101(163)83-21-15-47-143(83)105(73)167)100(162)140-80(54-64-29-37-68(148)38-30-64)98(160)132-72(20-14-46-126-110(121)122)94(156)138-78(50-58(5)6)96(158)130-70(18-12-44-124-108(117)118)92(154)136-76(90(114)152)52-62-25-33-66(146)34-26-62/h23-38,57-60,69-84,87-88,145-148H,9-22,39-56,111-112H2,1-8H3,(H2,113,151)(H2,114,152)(H,127,149)(H,128,150)(H,129,157)(H,130,158)(H,131,159)(H,132,160)(H,133,165)(H,134,166)(H,135,153)(H,136,154)(H,137,155)(H,138,156)(H,139,161)(H,140,162)(H,141,163)(H,142,164)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y4R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ... |
J Med Chem 63: 5274-5286 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00027
BindingDB Entry DOI: 10.7270/Q2RB782R |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50528179
(CHEMBL4476074)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C107H164N34O24/c1-8-56(5)84(108)100(162)131-71-38-40-82(146)124-53-78(96(158)136-76(51-61-26-34-65(144)35-27-61)94(156)128-67(16-10-42-120-104(112)113)89(151)126-58(7)88(150)127-68(17-11-43-121-105(114)115)90(152)133-73(86(110)148)49-59-22-30-63(142)31-23-59)138-98(160)80-20-14-46-140(80)102(164)72(132-101(163)85(109)57(6)9-2)39-41-83(147)125-54-79(139-99(161)81-21-15-47-141(81)103(71)165)97(159)137-77(52-62-28-36-66(145)37-29-62)95(157)130-70(19-13-45-123-107(118)119)92(154)135-75(48-55(3)4)93(155)129-69(18-12-44-122-106(116)117)91(153)134-74(87(111)149)50-60-24-32-64(143)33-25-60/h22-37,55-58,67-81,84-85,142-145H,8-21,38-54,108-109H2,1-7H3,(H2,110,148)(H2,111,149)(H,124,146)(H,125,147)(H,126,151)(H,127,150)(H,128,156)(H,129,155)(H,130,157)(H,131,162)(H,132,163)(H,133,152)(H,134,153)(H,135,154)(H,136,158)(H,137,159)(H,138,160)(H,139,161)(H4,112,113,120)(H4,114,115,121)(H4,116,117,122)(H4,118,119,123)/t56-,57-,58-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,84-,85-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y4R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ... |
J Med Chem 63: 5274-5286 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00027
BindingDB Entry DOI: 10.7270/Q2RB782R |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50528184
(CHEMBL4534028)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NCC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C112H174N34O24/c1-9-61(7)89(113)105(167)137-77-39-41-87(151)125-49-43-76(98(160)144-84(58-66-29-37-70(150)38-30-66)102(164)134-74(20-14-48-130-112(123)124)96(158)142-82(54-60(5)6)100(162)132-72(18-12-46-128-110(119)120)94(156)140-80(92(116)154)56-64-25-33-68(148)34-26-64)136-104(166)86-22-16-52-146(86)108(170)78(138-106(168)90(114)62(8)10-2)40-42-88(152)126-50-44-75(135-103(165)85-21-15-51-145(85)107(77)169)97(159)143-83(57-65-27-35-69(149)36-28-65)101(163)133-73(19-13-47-129-111(121)122)95(157)141-81(53-59(3)4)99(161)131-71(17-11-45-127-109(117)118)93(155)139-79(91(115)153)55-63-23-31-67(147)32-24-63/h23-38,59-62,71-86,89-90,147-150H,9-22,39-58,113-114H2,1-8H3,(H2,115,153)(H2,116,154)(H,125,151)(H,126,152)(H,131,161)(H,132,162)(H,133,163)(H,134,164)(H,135,165)(H,136,166)(H,137,167)(H,138,168)(H,139,155)(H,140,156)(H,141,157)(H,142,158)(H,143,159)(H,144,160)(H4,117,118,127)(H4,119,120,128)(H4,121,122,129)(H4,123,124,130)/t61-,62-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,89-,90-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y4R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ... |
J Med Chem 63: 5274-5286 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00027
BindingDB Entry DOI: 10.7270/Q2RB782R |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50528178
(CHEMBL4468261)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C116H182N34O24/c1-9-65(7)93(117)109(171)141-81-45-47-91(155)129-49-13-11-22-76(100(162)148-88(62-70-35-43-74(154)44-36-70)106(168)138-80(26-18-54-134-116(127)128)102(164)146-86(58-64(5)6)104(166)136-78(24-16-52-132-114(123)124)98(160)144-84(96(120)158)60-68-31-39-72(152)40-32-68)140-108(170)90-28-20-56-150(90)112(174)82(142-110(172)94(118)66(8)10-2)46-48-92(156)130-50-14-12-21-75(139-107(169)89-27-19-55-149(89)111(81)173)99(161)147-87(61-69-33-41-73(153)42-34-69)105(167)137-79(25-17-53-133-115(125)126)101(163)145-85(57-63(3)4)103(165)135-77(23-15-51-131-113(121)122)97(159)143-83(95(119)157)59-67-29-37-71(151)38-30-67/h29-44,63-66,75-90,93-94,151-154H,9-28,45-62,117-118H2,1-8H3,(H2,119,157)(H2,120,158)(H,129,155)(H,130,156)(H,135,165)(H,136,166)(H,137,167)(H,138,168)(H,139,169)(H,140,170)(H,141,171)(H,142,172)(H,143,159)(H,144,160)(H,145,163)(H,146,164)(H,147,161)(H,148,162)(H4,121,122,131)(H4,123,124,132)(H4,125,126,133)(H4,127,128,134)/t65-,66-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,93-,94-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y4R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ... |
J Med Chem 63: 5274-5286 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00027
BindingDB Entry DOI: 10.7270/Q2RB782R |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50528186
(CHEMBL4445317)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C107H163N31O24/c1-10-57(7)85(108)101(159)127-71-38-40-83(143)121-53-79(97(155)133-77(51-62-26-34-66(141)35-27-62)95(153)125-69(18-13-43-119-106(114)115)91(149)131-75(47-55(3)4)93(151)123-59(9)89(147)129-73(87(110)145)49-60-22-30-64(139)31-23-60)135-99(157)81-20-15-45-137(81)103(161)72(128-102(160)86(109)58(8)11-2)39-41-84(144)122-54-80(136-100(158)82-21-16-46-138(82)104(71)162)98(156)134-78(52-63-28-36-67(142)37-29-63)96(154)126-70(19-14-44-120-107(116)117)92(150)132-76(48-56(5)6)94(152)124-68(17-12-42-118-105(112)113)90(148)130-74(88(111)146)50-61-24-32-65(140)33-25-61/h22-37,55-59,68-82,85-86,139-142H,10-21,38-54,108-109H2,1-9H3,(H2,110,145)(H2,111,146)(H,121,143)(H,122,144)(H,123,151)(H,124,152)(H,125,153)(H,126,154)(H,127,159)(H,128,160)(H,129,147)(H,130,148)(H,131,149)(H,132,150)(H,133,155)(H,134,156)(H,135,157)(H,136,158)(H4,112,113,118)(H4,114,115,119)(H4,116,117,120)/t57-,58-,59-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,85-,86-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y4R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ... |
J Med Chem 63: 5274-5286 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00027
BindingDB Entry DOI: 10.7270/Q2RB782R |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50528182
(CHEMBL4454036)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C104H166N34O23/c1-10-55(7)81(105)97(158)128-68-36-38-79(142)121-51-75(93(154)133-73(49-59-26-32-62(140)33-27-59)91(152)126-66(20-14-42-119-103(113)114)87(148)131-71(46-53(3)4)89(150)124-64(18-12-40-117-101(109)110)85(146)123-57(9)83(107)144)135-95(156)77-22-16-44-137(77)99(160)69(129-98(159)82(106)56(8)11-2)37-39-80(143)122-52-76(136-96(157)78-23-17-45-138(78)100(68)161)94(155)134-74(50-60-28-34-63(141)35-29-60)92(153)127-67(21-15-43-120-104(115)116)88(149)132-72(47-54(5)6)90(151)125-65(19-13-41-118-102(111)112)86(147)130-70(84(108)145)48-58-24-30-61(139)31-25-58/h24-35,53-57,64-78,81-82,139-141H,10-23,36-52,105-106H2,1-9H3,(H2,107,144)(H2,108,145)(H,121,142)(H,122,143)(H,123,146)(H,124,150)(H,125,151)(H,126,152)(H,127,153)(H,128,158)(H,129,159)(H,130,147)(H,131,148)(H,132,149)(H,133,154)(H,134,155)(H,135,156)(H,136,157)(H4,109,110,117)(H4,111,112,118)(H4,113,114,119)(H4,115,116,120)/t55-,56-,57-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,81-,82-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 174 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y4R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ... |
J Med Chem 63: 5274-5286 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00027
BindingDB Entry DOI: 10.7270/Q2RB782R |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50528181
(CHEMBL4519035)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C107H163N31O24/c1-10-57(7)85(108)101(159)127-71-38-40-83(143)121-53-79(97(155)133-77(51-62-26-34-66(141)35-27-62)93(151)123-59(9)89(147)131-75(47-55(3)4)94(152)124-68(17-12-42-118-105(112)113)90(148)129-73(87(110)145)49-60-22-30-64(139)31-23-60)135-99(157)81-20-15-45-137(81)103(161)72(128-102(160)86(109)58(8)11-2)39-41-84(144)122-54-80(136-100(158)82-21-16-46-138(82)104(71)162)98(156)134-78(52-63-28-36-67(142)37-29-63)96(154)126-70(19-14-44-120-107(116)117)92(150)132-76(48-56(5)6)95(153)125-69(18-13-43-119-106(114)115)91(149)130-74(88(111)146)50-61-24-32-65(140)33-25-61/h22-37,55-59,68-82,85-86,139-142H,10-21,38-54,108-109H2,1-9H3,(H2,110,145)(H2,111,146)(H,121,143)(H,122,144)(H,123,151)(H,124,152)(H,125,153)(H,126,154)(H,127,159)(H,128,160)(H,129,148)(H,130,149)(H,131,147)(H,132,150)(H,133,155)(H,134,156)(H,135,157)(H,136,158)(H4,112,113,118)(H4,114,115,119)(H4,116,117,120)/t57-,58-,59-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,85-,86-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 245 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y4R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ... |
J Med Chem 63: 5274-5286 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00027
BindingDB Entry DOI: 10.7270/Q2RB782R |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50449010
(CHEMBL3125960)Show SMILES CCOC(=O)C1C(c2cnc3ccccc3c2)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C21H18N2O4/c1-2-26-21(25)19-18(13-9-12-5-3-4-6-16(12)23-11-13)15-8-7-14(24)10-17(15)27-20(19)22/h3-11,18-19,22,24H,2H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50449026
(CHEMBL3125936)Show SMILES CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2C1c1cccnc1 |c:5| Show InChI InChI=1S/C19H18N2O5/c1-3-25-19(24)17-16(12-5-4-8-20-10-12)14-7-6-13(23)9-15(14)26-18(17)21-11(2)22/h4-10,16,23H,3H2,1-2H3,(H,21,22) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50528185
(CHEMBL4573545)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C104H166N34O23/c1-10-55(7)81(105)97(158)128-68-36-38-79(142)121-51-75(93(154)123-57(9)85(146)124-64(18-12-40-117-101(109)110)88(149)132-72(46-53(3)4)90(151)125-65(19-13-41-118-102(111)112)86(147)130-70(83(107)144)48-58-24-30-61(139)31-25-58)135-95(156)77-22-16-44-137(77)99(160)69(129-98(159)82(106)56(8)11-2)37-39-80(143)122-52-76(136-96(157)78-23-17-45-138(78)100(68)161)94(155)134-74(50-60-28-34-63(141)35-29-60)92(153)127-67(21-15-43-120-104(115)116)89(150)133-73(47-54(5)6)91(152)126-66(20-14-42-119-103(113)114)87(148)131-71(84(108)145)49-59-26-32-62(140)33-27-59/h24-35,53-57,64-78,81-82,139-141H,10-23,36-52,105-106H2,1-9H3,(H2,107,144)(H2,108,145)(H,121,142)(H,122,143)(H,123,154)(H,124,146)(H,125,151)(H,126,152)(H,127,153)(H,128,158)(H,129,159)(H,130,147)(H,131,148)(H,132,149)(H,133,150)(H,134,155)(H,135,156)(H,136,157)(H4,109,110,117)(H4,111,112,118)(H4,113,114,119)(H4,115,116,120)/t55-,56-,57-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,81-,82-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y4R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ... |
J Med Chem 63: 5274-5286 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00027
BindingDB Entry DOI: 10.7270/Q2RB782R |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50449000
(CHEMBL3125942)Show SMILES CCOC(=O)C1C(c2ccc(O)cc2OC1=N)c1ccnc2ccccc12 Show InChI InChI=1S/C21H18N2O4/c1-2-26-21(25)19-18(14-9-10-23-16-6-4-3-5-13(14)16)15-8-7-12(24)11-17(15)27-20(19)22/h3-11,18-19,22,24H,2H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50528187
(CHEMBL4572358)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C104H156N28O24/c1-11-55(7)83(105)99(153)121-69-37-39-81(137)115-51-77(95(149)127-75(49-61-25-33-65(135)34-26-61)92(146)118-58(10)88(142)125-74(46-54(5)6)93(147)119-67(17-13-41-113-103(109)110)89(143)124-72(86(108)140)48-60-23-31-64(134)32-24-60)129-97(151)79-19-15-43-131(79)101(155)70(122-100(154)84(106)56(8)12-2)38-40-82(138)116-52-78(130-98(152)80-20-16-44-132(80)102(69)156)96(150)128-76(50-62-27-35-66(136)36-28-62)94(148)120-68(18-14-42-114-104(111)112)90(144)126-73(45-53(3)4)91(145)117-57(9)87(141)123-71(85(107)139)47-59-21-29-63(133)30-22-59/h21-36,53-58,67-80,83-84,133-136H,11-20,37-52,105-106H2,1-10H3,(H2,107,139)(H2,108,140)(H,115,137)(H,116,138)(H,117,145)(H,118,146)(H,119,147)(H,120,148)(H,121,153)(H,122,154)(H,123,141)(H,124,143)(H,125,142)(H,126,144)(H,127,149)(H,128,150)(H,129,151)(H,130,152)(H4,109,110,113)(H4,111,112,114)/t55-,56-,57-,58-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,83-,84-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 912 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y4R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ... |
J Med Chem 63: 5274-5286 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00027
BindingDB Entry DOI: 10.7270/Q2RB782R |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50449033
(CHEMBL3125949)Show InChI InChI=1S/C18H18N2O4/c1-2-8-23-18(22)16-15(11-4-3-7-20-10-11)13-6-5-12(21)9-14(13)24-17(16)19/h3-7,9-10,15-16,19,21H,2,8H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50449029
(CHEMBL3125954)Show SMILES Oc1ccc2C(C(C(=O)OCc3ccccc3)C(=N)Oc2c1)c1cccnc1 Show InChI InChI=1S/C22H18N2O4/c23-21-20(22(26)27-13-14-5-2-1-3-6-14)19(15-7-4-10-24-12-15)17-9-8-16(25)11-18(17)28-21/h1-12,19-20,23,25H,13H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50449011
(CHEMBL1604159)Show InChI InChI=1S/C17H16N2O4/c1-2-22-17(21)15-14(10-4-3-7-19-9-10)12-6-5-11(20)8-13(12)23-16(15)18/h3-9,14-15,18,20H,2H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50449032
(CHEMBL3125950)Show InChI InChI=1S/C19H20N2O4/c1-2-3-9-24-19(23)17-16(12-5-4-8-21-11-12)14-7-6-13(22)10-15(14)25-18(17)20/h4-8,10-11,16-17,20,22H,2-3,9H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50449008
(CHEMBL3125965)Show InChI InChI=1S/C17H16N2O4/c1-2-22-17(21)15-14(12-5-3-4-8-19-12)11-7-6-10(20)9-13(11)23-16(15)18/h3-9,14-15,18,20H,2H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50449007
(CHEMBL3125966)Show SMILES CCOC(=O)C1C(c2cc3ccccc3cn2)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C21H18N2O4/c1-2-26-21(25)19-18(15-8-7-14(24)10-17(15)27-20(19)22)16-9-12-5-3-4-6-13(12)11-23-16/h3-11,18-19,22,24H,2H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50449004
(CHEMBL3125937)Show InChI InChI=1S/C19H16N2O4/c1-2-24-19(23)17-16(12-5-3-4-11(8-12)10-20)14-7-6-13(22)9-15(14)25-18(17)21/h3-9,16-17,21-22H,2H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50449001
(CHEMBL3125941)Show InChI InChI=1S/C17H16N2O4/c1-2-22-17(21)15-14(10-5-7-19-8-6-10)12-4-3-11(20)9-13(12)23-16(15)18/h3-9,14-15,18,20H,2H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50449030
(CHEMBL3125952)Show InChI InChI=1S/C18H18N2O5/c1-23-7-8-24-18(22)16-15(11-3-2-6-20-10-11)13-5-4-12(21)9-14(13)25-17(16)19/h2-6,9-10,15-16,19,21H,7-8H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50449034
(CHEMBL3125948)Show InChI InChI=1S/C16H14N2O4/c1-21-16(20)14-13(9-3-2-6-18-8-9)11-5-4-10(19)7-12(11)22-15(14)17/h2-8,13-14,17,19H,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50448996
(CHEMBL3125931)Show SMILES Oc1cccc(c1)C1[C-](C#N)C(=[NH2+])Oc2cc(ccc12)[N+]([O-])=O Show InChI InChI=1S/C16H10N3O4/c17-8-13-15(9-2-1-3-11(20)6-9)12-5-4-10(19(21)22)7-14(12)23-16(13)18/h1-7,15,18,20H/q-1/p+1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50448998
(CHEMBL3125944)Show SMILES CCOC(=O)C1C(c2ccc(cc2)N(C)C)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C20H22N2O4/c1-4-25-20(24)18-17(12-5-7-13(8-6-12)22(2)3)15-10-9-14(23)11-16(15)26-19(18)21/h5-11,17-18,21,23H,4H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50449028
(CHEMBL3125932)Show InChI InChI=1S/C17H15ClN2O4/c1-2-23-17(22)15-14(9-4-3-5-20-8-9)10-6-11(18)12(21)7-13(10)24-16(15)19/h3-8,14-15,19,21H,2H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50448997
(CHEMBL3125945)Show SMILES CCOC(=O)C1C(c2ccc(OC)c(OC)c2)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C20H21NO6/c1-4-26-20(23)18-17(11-5-8-14(24-2)16(9-11)25-3)13-7-6-12(22)10-15(13)27-19(18)21/h5-10,17-18,21-22H,4H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50448999
(CHEMBL1338272)Show SMILES CCOC(=O)[C-]1C(c2ccc(cc2)[N+]([O-])=O)c2ccc(O)cc2OC1=[NH2+] Show InChI InChI=1S/C18H15N2O6/c1-2-25-18(22)16-15(10-3-5-11(6-4-10)20(23)24)13-8-7-12(21)9-14(13)26-17(16)19/h3-9,15,19,21H,2H2,1H3/q-1/p+1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50449027
(CHEMBL3125934)Show InChI InChI=1S/C17H16N2O4/c1-2-22-17(21)14-13(10-5-4-8-19-9-10)11-6-3-7-12(20)15(11)23-16(14)18/h3-9,13-14,18,20H,2H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50449002
(CHEMBL3125940)Show InChI InChI=1S/C19H16N2O4/c1-2-24-19(23)17-16(12-5-3-11(10-20)4-6-12)14-8-7-13(22)9-15(14)25-18(17)21/h3-9,16-17,21-22H,2H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50449031
(CHEMBL3125951)Show SMILES CC(C)(C)OC(=O)C1C(c2cccnc2)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C19H20N2O4/c1-19(2,3)25-18(23)16-15(11-5-4-8-21-10-11)13-7-6-12(22)9-14(13)24-17(16)20/h4-10,15-16,20,22H,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50449003
(CHEMBL3125938)Show SMILES CCOC(=O)C1C(c2ccc(O)cc2OC1=N)c1c(Cl)ccnc1Cl Show InChI InChI=1S/C17H14Cl2N2O4/c1-2-24-17(23)14-12(13-10(18)5-6-21-15(13)19)9-4-3-8(22)7-11(9)25-16(14)20/h3-7,12,14,20,22H,2H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50449005
(CHEMBL1511289)Show InChI InChI=1S/C18H16ClNO4/c1-2-23-18(22)16-15(10-4-3-5-11(19)8-10)13-7-6-12(21)9-14(13)24-17(16)20/h3-9,15-16,20-21H,2H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50449006
(CHEMBL3125967)Show SMILES CCOC(=O)C1C(c2ccc(O)cc2OC1=N)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C18H16N2O6/c1-2-25-18(22)16-15(11-5-3-4-6-13(11)20(23)24)12-8-7-10(21)9-14(12)26-17(16)19/h3-9,15-16,19,21H,2H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50449009
(CHEMBL1303063)Show InChI InChI=1S/C18H16N2O4/c1-22-14-6-3-10(7-16(14)23-2)17-12-5-4-11(21)8-15(12)24-18(20)13(17)9-19/h3-8,13,17,20-21H,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50449019
(CHEMBL1603587)Show InChI InChI=1S/C18H17NO4/c1-2-22-18(21)16-15(11-6-4-3-5-7-11)13-9-8-12(20)10-14(13)23-17(16)19/h3-10,15-16,19-20H,2H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50449018
(CHEMBL3125964)Show InChI InChI=1S/C19H16N2O4/c1-2-24-19(23)17-16(13-6-4-3-5-11(13)10-20)14-8-7-12(22)9-15(14)25-18(17)21/h3-9,16-17,21-22H,2H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins |
J Med Chem 57: 1368-77 (2014)
Article DOI: 10.1021/jm401540f
BindingDB Entry DOI: 10.7270/Q2W66N8G |
More data for this
Ligand-Target Pair | |
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