Found 28 hits with Last Name = 'couture' and Initial = 'r' 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 |
|---|
Substance-P receptor
(Homo sapiens (Human)) | BDBM50045033
(1N-[1-[1-benzyl(methyl)carbamoyl-2-phenyl-(1S)-eth...)Show SMILES CC(O)[C@H](NC(C)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C35H39N5O6/c1-23(42)32(36-24(2)43)34(45)37-29(19-27-21-40(22-41)31-17-11-10-16-28(27)31)33(44)38-30(18-25-12-6-4-7-13-25)35(46)39(3)20-26-14-8-5-9-15-26/h4-17,21-23,29-30,32,42H,18-20H2,1-3H3,(H,36,43)(H,37,45)(H,38,44)/t23?,29-,30+,32+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against human NK-1 receptor transfected on CHO cells using [125I]-Tyr] SP as radioligand |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50045040
(CHEMBL3144343 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-di...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:43.46,11.11,39.42,22.24,THB:41:43:46.45:48.49,(10.33,-13,;9.17,-14.02,;9.47,-15.53,;10.93,-16.02,;11.23,-17.53,;12.69,-18.03,;13.85,-17.01,;13.55,-15.5,;12.09,-15.01,;7.71,-13.52,;6.56,-14.54,;7.41,-12.01,;8.57,-11,;8.26,-9.49,;9.42,-8.47,;9.12,-6.96,;7.66,-6.47,;6.5,-7.48,;6.81,-8.99,;5.95,-11.52,;5.65,-10.01,;5.99,-8.51,;4.19,-9.52,;3.03,-10.53,;3.34,-12.04,;4.73,-12.69,;4.56,-14.22,;5.69,-15.26,;5.35,-16.76,;3.05,-14.52,;2.26,-15.84,;.72,-15.82,;-.03,-14.48,;.75,-13.16,;2.29,-13.18,;3.89,-8.01,;2.43,-7.51,;1.27,-8.53,;2.13,-6,;.67,-5.51,;.37,-4,;-1.09,-3.51,;-1.39,-2,;-2.25,-4.52,;-3.61,-3.99,;-5.11,-4.65,;-4.91,-6.06,;-3.34,-5.39,;-3.08,-3.45,;-3.54,-2.32,;-1.95,-6.03,;-.49,-6.53,;-.19,-8.04,)| Show InChI InChI=1S/C41H44N6O6/c1-45(23-27-12-6-3-7-13-27)40(52)33(20-26-10-4-2-5-11-26)43-38(50)32(21-29-24-46(25-48)35-15-9-8-14-31(29)35)42-36(49)22-34-41(53)47-30-18-16-28(17-19-30)37(47)39(51)44-34/h2-15,24-25,28,30,32-34,37H,16-23H2,1H3,(H,42,49)(H,43,50)(H,44,51) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against human NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50045036
(7-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:50.53,46.49,22.24,wD:11.11,THB:48:50:53.52:55.56,(11.12,-10.02,;9.98,-8.97,;11.14,-7.96,;12.6,-8.45,;13.76,-7.43,;15.21,-7.93,;15.52,-9.44,;14.36,-10.45,;12.9,-9.96,;8.52,-8.48,;8.22,-6.97,;7.37,-9.5,;7.67,-11.01,;9.13,-11.5,;10.29,-10.48,;11.74,-10.98,;12.05,-12.49,;10.89,-13.5,;9.43,-13.01,;5.91,-9,;4.75,-10.02,;5.05,-11.53,;3.29,-9.52,;2.14,-10.54,;2.44,-12.05,;3.84,-12.69,;3.66,-14.22,;4.79,-15.27,;6.26,-14.81,;4.45,-16.77,;5.58,-17.81,;5.25,-19.32,;6.38,-20.36,;6.04,-21.86,;7.17,-22.91,;6.83,-24.41,;2.15,-14.53,;1.36,-15.85,;-.18,-15.83,;-.93,-14.49,;-.15,-13.16,;1.39,-13.18,;2.99,-8.01,;4.15,-7,;5.61,-7.49,;3.85,-5.49,;2.39,-4.99,;2.09,-3.48,;.63,-2.99,;.32,-1.48,;-.53,-4.01,;-1.89,-3.47,;-3.39,-4.13,;-3.19,-5.54,;-1.63,-4.87,;-1.36,-2.93,;-1.82,-1.8,;-.23,-5.52,;1.23,-6.01,;1.53,-7.52,)| Show InChI InChI=1S/C47H57N7O6/c1-52(29-32-16-8-5-9-17-32)46(59)38(26-31-14-6-4-7-15-31)50-44(57)37(27-34-30-53(40-19-12-11-18-36(34)40)42(56)20-10-2-3-13-25-48)49-41(55)28-39-47(60)54-35-23-21-33(22-24-35)43(54)45(58)51-39/h4-9,11-12,14-19,30,33,35,37-39,43H,2-3,10,13,20-29,48H2,1H3,(H,49,55)(H,50,57)(H,51,58)/p+1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against human NK-1 receptor |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50045039
(6-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:51.54,47.50,22.24,wD:11.12,THB:49:51:54.53:56.57,(11.28,-9.71,;10.14,-8.66,;11.3,-7.64,;12.76,-8.14,;13.92,-7.12,;15.38,-7.61,;15.68,-9.13,;14.52,-10.14,;13.06,-9.65,;8.69,-8.17,;8.38,-6.66,;7.53,-9.18,;7.83,-10.69,;9.29,-11.19,;10.45,-10.17,;11.91,-10.66,;12.21,-12.17,;11.05,-13.19,;9.59,-12.7,;6.07,-8.69,;4.91,-9.71,;5.22,-11.22,;3.46,-9.21,;2.3,-10.23,;2.6,-11.74,;4,-12.38,;3.82,-13.91,;4.95,-14.96,;6.42,-14.5,;4.61,-16.46,;5.75,-17.5,;5.41,-19.01,;6.54,-20.05,;6.2,-21.55,;7.33,-22.6,;6.99,-24.1,;8.13,-25.14,;2.31,-14.22,;1.52,-15.54,;-.02,-15.52,;-.77,-14.18,;.02,-12.85,;1.56,-12.87,;3.15,-7.7,;4.31,-6.69,;5.77,-7.18,;4.01,-5.18,;2.55,-4.68,;2.25,-3.17,;.79,-2.68,;.49,-1.17,;-.37,-3.7,;-1.73,-3.16,;-3.23,-3.82,;-3.03,-5.23,;-1.46,-4.56,;-1.2,-2.62,;-1.66,-1.49,;-.07,-5.21,;1.39,-5.7,;1.69,-7.21,)| Show InChI InChI=1S/C47H57N7O7/c1-52(29-32-16-8-5-9-17-32)45(58)38(26-31-14-6-4-7-15-31)50-43(56)37(49-41(55)28-39-46(59)54-35-22-20-33(21-23-35)42(54)44(57)51-39)27-34-30-53(40-19-11-10-18-36(34)40)47(60)61-25-13-3-2-12-24-48/h4-11,14-19,30,33,35,37-39,42H,2-3,12-13,20-29,48H2,1H3,(H,49,55)(H,50,56)(H,51,57)/p+1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for antagonist activityt against NK-2 receptor in rabbit pulmonary artery by using Neurokinin A as agonist |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50045036
(7-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:50.53,46.49,22.24,wD:11.11,THB:48:50:53.52:55.56,(11.12,-10.02,;9.98,-8.97,;11.14,-7.96,;12.6,-8.45,;13.76,-7.43,;15.21,-7.93,;15.52,-9.44,;14.36,-10.45,;12.9,-9.96,;8.52,-8.48,;8.22,-6.97,;7.37,-9.5,;7.67,-11.01,;9.13,-11.5,;10.29,-10.48,;11.74,-10.98,;12.05,-12.49,;10.89,-13.5,;9.43,-13.01,;5.91,-9,;4.75,-10.02,;5.05,-11.53,;3.29,-9.52,;2.14,-10.54,;2.44,-12.05,;3.84,-12.69,;3.66,-14.22,;4.79,-15.27,;6.26,-14.81,;4.45,-16.77,;5.58,-17.81,;5.25,-19.32,;6.38,-20.36,;6.04,-21.86,;7.17,-22.91,;6.83,-24.41,;2.15,-14.53,;1.36,-15.85,;-.18,-15.83,;-.93,-14.49,;-.15,-13.16,;1.39,-13.18,;2.99,-8.01,;4.15,-7,;5.61,-7.49,;3.85,-5.49,;2.39,-4.99,;2.09,-3.48,;.63,-2.99,;.32,-1.48,;-.53,-4.01,;-1.89,-3.47,;-3.39,-4.13,;-3.19,-5.54,;-1.63,-4.87,;-1.36,-2.93,;-1.82,-1.8,;-.23,-5.52,;1.23,-6.01,;1.53,-7.52,)| Show InChI InChI=1S/C47H57N7O6/c1-52(29-32-16-8-5-9-17-32)46(59)38(26-31-14-6-4-7-15-31)50-44(57)37(27-34-30-53(40-19-12-11-18-36(34)40)42(56)20-10-2-3-13-25-48)49-41(55)28-39-47(60)54-35-23-21-33(22-24-35)43(54)45(58)51-39/h4-9,11-12,14-19,30,33,35,37-39,43H,2-3,10,13,20-29,48H2,1H3,(H,49,55)(H,50,57)(H,51,58)/p+1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against human NK-2 receptor |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50045039
(6-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:51.54,47.50,22.24,wD:11.12,THB:49:51:54.53:56.57,(11.28,-9.71,;10.14,-8.66,;11.3,-7.64,;12.76,-8.14,;13.92,-7.12,;15.38,-7.61,;15.68,-9.13,;14.52,-10.14,;13.06,-9.65,;8.69,-8.17,;8.38,-6.66,;7.53,-9.18,;7.83,-10.69,;9.29,-11.19,;10.45,-10.17,;11.91,-10.66,;12.21,-12.17,;11.05,-13.19,;9.59,-12.7,;6.07,-8.69,;4.91,-9.71,;5.22,-11.22,;3.46,-9.21,;2.3,-10.23,;2.6,-11.74,;4,-12.38,;3.82,-13.91,;4.95,-14.96,;6.42,-14.5,;4.61,-16.46,;5.75,-17.5,;5.41,-19.01,;6.54,-20.05,;6.2,-21.55,;7.33,-22.6,;6.99,-24.1,;8.13,-25.14,;2.31,-14.22,;1.52,-15.54,;-.02,-15.52,;-.77,-14.18,;.02,-12.85,;1.56,-12.87,;3.15,-7.7,;4.31,-6.69,;5.77,-7.18,;4.01,-5.18,;2.55,-4.68,;2.25,-3.17,;.79,-2.68,;.49,-1.17,;-.37,-3.7,;-1.73,-3.16,;-3.23,-3.82,;-3.03,-5.23,;-1.46,-4.56,;-1.2,-2.62,;-1.66,-1.49,;-.07,-5.21,;1.39,-5.7,;1.69,-7.21,)| Show InChI InChI=1S/C47H57N7O7/c1-52(29-32-16-8-5-9-17-32)45(58)38(26-31-14-6-4-7-15-31)50-43(56)37(49-41(55)28-39-46(59)54-35-22-20-33(21-23-35)42(54)44(57)51-39)27-34-30-53(40-19-11-10-18-36(34)40)47(60)61-25-13-3-2-12-24-48/h4-11,14-19,30,33,35,37-39,42H,2-3,12-13,20-29,48H2,1H3,(H,49,55)(H,50,56)(H,51,57)/p+1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against human NK-2 receptor |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50045040
(CHEMBL3144343 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-di...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:43.46,11.11,39.42,22.24,THB:41:43:46.45:48.49,(10.33,-13,;9.17,-14.02,;9.47,-15.53,;10.93,-16.02,;11.23,-17.53,;12.69,-18.03,;13.85,-17.01,;13.55,-15.5,;12.09,-15.01,;7.71,-13.52,;6.56,-14.54,;7.41,-12.01,;8.57,-11,;8.26,-9.49,;9.42,-8.47,;9.12,-6.96,;7.66,-6.47,;6.5,-7.48,;6.81,-8.99,;5.95,-11.52,;5.65,-10.01,;5.99,-8.51,;4.19,-9.52,;3.03,-10.53,;3.34,-12.04,;4.73,-12.69,;4.56,-14.22,;5.69,-15.26,;5.35,-16.76,;3.05,-14.52,;2.26,-15.84,;.72,-15.82,;-.03,-14.48,;.75,-13.16,;2.29,-13.18,;3.89,-8.01,;2.43,-7.51,;1.27,-8.53,;2.13,-6,;.67,-5.51,;.37,-4,;-1.09,-3.51,;-1.39,-2,;-2.25,-4.52,;-3.61,-3.99,;-5.11,-4.65,;-4.91,-6.06,;-3.34,-5.39,;-3.08,-3.45,;-3.54,-2.32,;-1.95,-6.03,;-.49,-6.53,;-.19,-8.04,)| Show InChI InChI=1S/C41H44N6O6/c1-45(23-27-12-6-3-7-13-27)40(52)33(20-26-10-4-2-5-11-26)43-38(50)32(21-29-24-46(25-48)35-15-9-8-14-31(29)35)42-36(49)22-34-41(53)47-30-18-16-28(17-19-30)37(47)39(51)44-34/h2-15,24-25,28,30,32-34,37H,16-23H2,1H3,(H,42,49)(H,43,50)(H,44,51) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for antagonist activityt against NK-2 receptor in rabbit pulmonary artery by using Neurokinin A as agonist |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50045037
(CHEMBL3144352 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-di...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:41.44,37.40,wD:11.11,22.24,THB:39:41:44.43:46.47,(10.7,-11.55,;10.4,-10.04,;11.55,-9.02,;13.01,-9.52,;14.17,-8.5,;15.63,-8.99,;15.93,-10.5,;14.77,-11.52,;13.31,-11.03,;8.94,-9.55,;8.63,-8.04,;7.78,-10.56,;8.08,-12.07,;6.93,-13.09,;7.23,-14.6,;6.07,-15.62,;4.61,-15.12,;4.31,-13.61,;5.47,-12.6,;6.32,-10.07,;5.16,-11.09,;4.52,-12.48,;3.71,-10.59,;3.4,-9.08,;4.56,-8.07,;6.06,-8.4,;6.85,-7.08,;5.83,-5.92,;6.01,-4.39,;4.78,-3.47,;3.36,-4.08,;3.18,-5.61,;4.42,-6.53,;2.55,-11.61,;1.09,-11.12,;.79,-9.61,;-.07,-12.13,;-1.53,-11.64,;-1.83,-10.13,;-3.29,-9.63,;-3.59,-8.12,;-4.44,-10.65,;-5.8,-10.12,;-7.3,-10.77,;-7.1,-12.18,;-5.54,-11.51,;-5.28,-9.58,;-5.73,-8.44,;-4.14,-12.16,;-2.68,-12.66,;-2.38,-14.17,)| Show InChI InChI=1S/C40H44N6O5/c1-45(24-26-12-6-3-7-13-26)39(50)33(20-25-10-4-2-5-11-25)43-37(48)32(21-28-23-41-31-15-9-8-14-30(28)31)42-35(47)22-34-40(51)46-29-18-16-27(17-19-29)36(46)38(49)44-34/h2-15,23,27,29,32-34,36,41H,16-22,24H2,1H3,(H,42,47)(H,43,48)(H,44,49) | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against rat NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50045037
(CHEMBL3144352 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-di...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:41.44,37.40,wD:11.11,22.24,THB:39:41:44.43:46.47,(10.7,-11.55,;10.4,-10.04,;11.55,-9.02,;13.01,-9.52,;14.17,-8.5,;15.63,-8.99,;15.93,-10.5,;14.77,-11.52,;13.31,-11.03,;8.94,-9.55,;8.63,-8.04,;7.78,-10.56,;8.08,-12.07,;6.93,-13.09,;7.23,-14.6,;6.07,-15.62,;4.61,-15.12,;4.31,-13.61,;5.47,-12.6,;6.32,-10.07,;5.16,-11.09,;4.52,-12.48,;3.71,-10.59,;3.4,-9.08,;4.56,-8.07,;6.06,-8.4,;6.85,-7.08,;5.83,-5.92,;6.01,-4.39,;4.78,-3.47,;3.36,-4.08,;3.18,-5.61,;4.42,-6.53,;2.55,-11.61,;1.09,-11.12,;.79,-9.61,;-.07,-12.13,;-1.53,-11.64,;-1.83,-10.13,;-3.29,-9.63,;-3.59,-8.12,;-4.44,-10.65,;-5.8,-10.12,;-7.3,-10.77,;-7.1,-12.18,;-5.54,-11.51,;-5.28,-9.58,;-5.73,-8.44,;-4.14,-12.16,;-2.68,-12.66,;-2.38,-14.17,)| Show InChI InChI=1S/C40H44N6O5/c1-45(24-26-12-6-3-7-13-26)39(50)33(20-25-10-4-2-5-11-25)43-37(48)32(21-28-23-41-31-15-9-8-14-30(28)31)42-35(47)22-34-40(51)46-29-18-16-27(17-19-29)36(46)38(49)44-34/h2-15,23,27,29,32-34,36,41H,16-22,24H2,1H3,(H,42,47)(H,43,48)(H,44,49) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against human NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50045032
(CHEMBL3144353 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-di...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:42.45,38.41,wD:22.24,11.12,THB:40:42:45.44:47.48,(10.71,-11.65,;10.41,-10.14,;11.57,-9.13,;13.03,-9.62,;14.18,-8.6,;15.64,-9.1,;15.94,-10.61,;14.79,-11.62,;13.33,-11.13,;8.95,-9.65,;8.65,-8.14,;7.8,-10.67,;8.1,-12.18,;6.94,-13.19,;7.24,-14.7,;6.09,-15.72,;4.63,-15.23,;4.33,-13.72,;5.48,-12.7,;6.34,-10.17,;5.18,-11.19,;4.54,-12.59,;3.72,-10.7,;3.42,-9.19,;4.58,-8.17,;6.08,-8.51,;6.87,-7.18,;8.4,-7.04,;5.85,-6.03,;6.03,-4.5,;4.79,-3.58,;3.38,-4.19,;3.2,-5.72,;4.43,-6.64,;2.56,-11.71,;1.11,-11.22,;.8,-9.71,;-.05,-12.24,;-1.51,-11.74,;-1.81,-10.23,;-3.27,-9.74,;-3.57,-8.23,;-4.43,-10.76,;-5.79,-10.22,;-7.29,-10.88,;-7.09,-12.29,;-5.52,-11.62,;-5.26,-9.68,;-5.72,-8.55,;-4.12,-12.27,;-2.67,-12.76,;-2.36,-14.27,)| Show InChI InChI=1S/C41H46N6O5/c1-45-25-29(31-15-9-10-16-35(31)45)22-32(42-36(48)23-34-41(52)47-30-19-17-28(18-20-30)37(47)39(50)44-34)38(49)43-33(21-26-11-5-3-6-12-26)40(51)46(2)24-27-13-7-4-8-14-27/h3-16,25,28,30,32-34,37H,17-24H2,1-2H3,(H,42,48)(H,43,49)(H,44,50) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against human NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50045035
(4-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCC(O)=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:48.51,11.11,44.47,wD:22.24,THB:46:48:51.50:53.54,(10.95,-12.84,;9.79,-13.85,;10.1,-15.36,;11.55,-15.86,;11.86,-17.37,;13.32,-17.86,;14.47,-16.84,;14.17,-15.33,;12.71,-14.84,;8.33,-13.36,;7.18,-14.38,;8.03,-11.85,;9.19,-10.83,;8.89,-9.32,;10.04,-8.31,;9.74,-6.8,;8.28,-6.3,;7.13,-7.32,;7.43,-8.83,;6.49,-11.83,;5.74,-10.49,;6.52,-9.16,;4.2,-10.47,;3.45,-9.13,;4.23,-7.8,;5.76,-7.66,;6.1,-6.16,;7.52,-5.55,;8.98,-6.04,;7.7,-4.02,;9.11,-3.41,;9.29,-1.88,;8.06,-.96,;10.7,-1.27,;4.78,-5.37,;4.48,-3.86,;3.02,-3.37,;1.86,-4.38,;2.16,-5.89,;3.62,-6.39,;3.41,-11.79,;1.87,-11.78,;1.12,-10.43,;1.09,-13.1,;-.45,-13.08,;-1.21,-11.74,;-2.75,-11.72,;-3.5,-10.38,;-3.53,-13.04,;-4.99,-12.96,;-6.22,-14.05,;-5.59,-15.32,;-4.31,-14.2,;-4.66,-12.28,;-5.44,-11.34,;-2.78,-14.39,;-1.24,-14.41,;-.48,-15.75,)| Show InChI InChI=1S/C44H48N6O8/c1-48(25-28-12-6-3-7-13-28)43(57)34(22-27-10-4-2-5-11-27)46-41(55)33(23-30-26-49(38(52)20-21-39(53)54)36-15-9-8-14-32(30)36)45-37(51)24-35-44(58)50-31-18-16-29(17-19-31)40(50)42(56)47-35/h2-15,26,29,31,33-35,40H,16-25H2,1H3,(H,45,51)(H,46,55)(H,47,56)(H,53,54) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for antagonist activityt against NK-2 receptor in rabbit pulmonary artery by using Neurokinin A as agonist |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50045033
(1N-[1-[1-benzyl(methyl)carbamoyl-2-phenyl-(1S)-eth...)Show SMILES CC(O)[C@H](NC(C)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C35H39N5O6/c1-23(42)32(36-24(2)43)34(45)37-29(19-27-21-40(22-41)31-17-11-10-16-28(27)31)33(44)38-30(18-25-12-6-4-7-13-25)35(46)39(3)20-26-14-8-5-9-15-26/h4-17,21-23,29-30,32,42H,18-20H2,1-3H3,(H,36,43)(H,37,45)(H,38,44)/t23?,29-,30+,32+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against human NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50045032
(CHEMBL3144353 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-di...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:42.45,38.41,wD:22.24,11.12,THB:40:42:45.44:47.48,(10.71,-11.65,;10.41,-10.14,;11.57,-9.13,;13.03,-9.62,;14.18,-8.6,;15.64,-9.1,;15.94,-10.61,;14.79,-11.62,;13.33,-11.13,;8.95,-9.65,;8.65,-8.14,;7.8,-10.67,;8.1,-12.18,;6.94,-13.19,;7.24,-14.7,;6.09,-15.72,;4.63,-15.23,;4.33,-13.72,;5.48,-12.7,;6.34,-10.17,;5.18,-11.19,;4.54,-12.59,;3.72,-10.7,;3.42,-9.19,;4.58,-8.17,;6.08,-8.51,;6.87,-7.18,;8.4,-7.04,;5.85,-6.03,;6.03,-4.5,;4.79,-3.58,;3.38,-4.19,;3.2,-5.72,;4.43,-6.64,;2.56,-11.71,;1.11,-11.22,;.8,-9.71,;-.05,-12.24,;-1.51,-11.74,;-1.81,-10.23,;-3.27,-9.74,;-3.57,-8.23,;-4.43,-10.76,;-5.79,-10.22,;-7.29,-10.88,;-7.09,-12.29,;-5.52,-11.62,;-5.26,-9.68,;-5.72,-8.55,;-4.12,-12.27,;-2.67,-12.76,;-2.36,-14.27,)| Show InChI InChI=1S/C41H46N6O5/c1-45-25-29(31-15-9-10-16-35(31)45)22-32(42-36(48)23-34-41(52)47-30-19-17-28(18-20-30)37(47)39(50)44-34)38(49)43-33(21-26-11-5-3-6-12-26)40(51)46(2)24-27-13-7-4-8-14-27/h3-16,25,28,30,32-34,37H,17-24H2,1-2H3,(H,42,48)(H,43,49)(H,44,50) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for antagonist activityt against NK-2 receptor in rabbit pulmonary artery by using Neurokinin A as agonist |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50045035
(4-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCC(O)=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:48.51,11.11,44.47,wD:22.24,THB:46:48:51.50:53.54,(10.95,-12.84,;9.79,-13.85,;10.1,-15.36,;11.55,-15.86,;11.86,-17.37,;13.32,-17.86,;14.47,-16.84,;14.17,-15.33,;12.71,-14.84,;8.33,-13.36,;7.18,-14.38,;8.03,-11.85,;9.19,-10.83,;8.89,-9.32,;10.04,-8.31,;9.74,-6.8,;8.28,-6.3,;7.13,-7.32,;7.43,-8.83,;6.49,-11.83,;5.74,-10.49,;6.52,-9.16,;4.2,-10.47,;3.45,-9.13,;4.23,-7.8,;5.76,-7.66,;6.1,-6.16,;7.52,-5.55,;8.98,-6.04,;7.7,-4.02,;9.11,-3.41,;9.29,-1.88,;8.06,-.96,;10.7,-1.27,;4.78,-5.37,;4.48,-3.86,;3.02,-3.37,;1.86,-4.38,;2.16,-5.89,;3.62,-6.39,;3.41,-11.79,;1.87,-11.78,;1.12,-10.43,;1.09,-13.1,;-.45,-13.08,;-1.21,-11.74,;-2.75,-11.72,;-3.5,-10.38,;-3.53,-13.04,;-4.99,-12.96,;-6.22,-14.05,;-5.59,-15.32,;-4.31,-14.2,;-4.66,-12.28,;-5.44,-11.34,;-2.78,-14.39,;-1.24,-14.41,;-.48,-15.75,)| Show InChI InChI=1S/C44H48N6O8/c1-48(25-28-12-6-3-7-13-28)43(57)34(22-27-10-4-2-5-11-27)46-41(55)33(23-30-26-49(38(52)20-21-39(53)54)36-15-9-8-14-32(30)36)45-37(51)24-35-44(58)50-31-18-16-29(17-19-31)40(50)42(56)47-35/h2-15,26,29,31,33-35,40H,16-25H2,1H3,(H,45,51)(H,46,55)(H,47,56)(H,53,54) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 129 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against human NK-2 receptor |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50045040
(CHEMBL3144343 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-di...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:43.46,11.11,39.42,22.24,THB:41:43:46.45:48.49,(10.33,-13,;9.17,-14.02,;9.47,-15.53,;10.93,-16.02,;11.23,-17.53,;12.69,-18.03,;13.85,-17.01,;13.55,-15.5,;12.09,-15.01,;7.71,-13.52,;6.56,-14.54,;7.41,-12.01,;8.57,-11,;8.26,-9.49,;9.42,-8.47,;9.12,-6.96,;7.66,-6.47,;6.5,-7.48,;6.81,-8.99,;5.95,-11.52,;5.65,-10.01,;5.99,-8.51,;4.19,-9.52,;3.03,-10.53,;3.34,-12.04,;4.73,-12.69,;4.56,-14.22,;5.69,-15.26,;5.35,-16.76,;3.05,-14.52,;2.26,-15.84,;.72,-15.82,;-.03,-14.48,;.75,-13.16,;2.29,-13.18,;3.89,-8.01,;2.43,-7.51,;1.27,-8.53,;2.13,-6,;.67,-5.51,;.37,-4,;-1.09,-3.51,;-1.39,-2,;-2.25,-4.52,;-3.61,-3.99,;-5.11,-4.65,;-4.91,-6.06,;-3.34,-5.39,;-3.08,-3.45,;-3.54,-2.32,;-1.95,-6.03,;-.49,-6.53,;-.19,-8.04,)| Show InChI InChI=1S/C41H44N6O6/c1-45(23-27-12-6-3-7-13-27)40(52)33(20-26-10-4-2-5-11-26)43-38(50)32(21-29-24-46(25-48)35-15-9-8-14-31(29)35)42-36(49)22-34-41(53)47-30-18-16-28(17-19-30)37(47)39(51)44-34/h2-15,24-25,28,30,32-34,37H,16-23H2,1H3,(H,42,49)(H,43,50)(H,44,51) | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 142 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against rat NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50045037
(CHEMBL3144352 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-di...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:41.44,37.40,wD:11.11,22.24,THB:39:41:44.43:46.47,(10.7,-11.55,;10.4,-10.04,;11.55,-9.02,;13.01,-9.52,;14.17,-8.5,;15.63,-8.99,;15.93,-10.5,;14.77,-11.52,;13.31,-11.03,;8.94,-9.55,;8.63,-8.04,;7.78,-10.56,;8.08,-12.07,;6.93,-13.09,;7.23,-14.6,;6.07,-15.62,;4.61,-15.12,;4.31,-13.61,;5.47,-12.6,;6.32,-10.07,;5.16,-11.09,;4.52,-12.48,;3.71,-10.59,;3.4,-9.08,;4.56,-8.07,;6.06,-8.4,;6.85,-7.08,;5.83,-5.92,;6.01,-4.39,;4.78,-3.47,;3.36,-4.08,;3.18,-5.61,;4.42,-6.53,;2.55,-11.61,;1.09,-11.12,;.79,-9.61,;-.07,-12.13,;-1.53,-11.64,;-1.83,-10.13,;-3.29,-9.63,;-3.59,-8.12,;-4.44,-10.65,;-5.8,-10.12,;-7.3,-10.77,;-7.1,-12.18,;-5.54,-11.51,;-5.28,-9.58,;-5.73,-8.44,;-4.14,-12.16,;-2.68,-12.66,;-2.38,-14.17,)| Show InChI InChI=1S/C40H44N6O5/c1-45(24-26-12-6-3-7-13-26)39(50)33(20-25-10-4-2-5-11-25)43-37(48)32(21-28-23-41-31-15-9-8-14-30(28)31)42-35(47)22-34-40(51)46-29-18-16-27(17-19-29)36(46)38(49)44-34/h2-15,23,27,29,32-34,36,41H,16-22,24H2,1H3,(H,42,47)(H,43,48)(H,44,49) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 165 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for antagonist activityt against NK-2 receptor in rabbit pulmonary artery by using Neurokinin A as agonist |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50045036
(7-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:50.53,46.49,22.24,wD:11.11,THB:48:50:53.52:55.56,(11.12,-10.02,;9.98,-8.97,;11.14,-7.96,;12.6,-8.45,;13.76,-7.43,;15.21,-7.93,;15.52,-9.44,;14.36,-10.45,;12.9,-9.96,;8.52,-8.48,;8.22,-6.97,;7.37,-9.5,;7.67,-11.01,;9.13,-11.5,;10.29,-10.48,;11.74,-10.98,;12.05,-12.49,;10.89,-13.5,;9.43,-13.01,;5.91,-9,;4.75,-10.02,;5.05,-11.53,;3.29,-9.52,;2.14,-10.54,;2.44,-12.05,;3.84,-12.69,;3.66,-14.22,;4.79,-15.27,;6.26,-14.81,;4.45,-16.77,;5.58,-17.81,;5.25,-19.32,;6.38,-20.36,;6.04,-21.86,;7.17,-22.91,;6.83,-24.41,;2.15,-14.53,;1.36,-15.85,;-.18,-15.83,;-.93,-14.49,;-.15,-13.16,;1.39,-13.18,;2.99,-8.01,;4.15,-7,;5.61,-7.49,;3.85,-5.49,;2.39,-4.99,;2.09,-3.48,;.63,-2.99,;.32,-1.48,;-.53,-4.01,;-1.89,-3.47,;-3.39,-4.13,;-3.19,-5.54,;-1.63,-4.87,;-1.36,-2.93,;-1.82,-1.8,;-.23,-5.52,;1.23,-6.01,;1.53,-7.52,)| Show InChI InChI=1S/C47H57N7O6/c1-52(29-32-16-8-5-9-17-32)46(59)38(26-31-14-6-4-7-15-31)50-44(57)37(27-34-30-53(40-19-12-11-18-36(34)40)42(56)20-10-2-3-13-25-48)49-41(55)28-39-47(60)54-35-23-21-33(22-24-35)43(54)45(58)51-39/h4-9,11-12,14-19,30,33,35,37-39,43H,2-3,10,13,20-29,48H2,1H3,(H,49,55)(H,50,57)(H,51,58)/p+1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 188 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against rat NK-2 receptor |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50045039
(6-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:51.54,47.50,22.24,wD:11.12,THB:49:51:54.53:56.57,(11.28,-9.71,;10.14,-8.66,;11.3,-7.64,;12.76,-8.14,;13.92,-7.12,;15.38,-7.61,;15.68,-9.13,;14.52,-10.14,;13.06,-9.65,;8.69,-8.17,;8.38,-6.66,;7.53,-9.18,;7.83,-10.69,;9.29,-11.19,;10.45,-10.17,;11.91,-10.66,;12.21,-12.17,;11.05,-13.19,;9.59,-12.7,;6.07,-8.69,;4.91,-9.71,;5.22,-11.22,;3.46,-9.21,;2.3,-10.23,;2.6,-11.74,;4,-12.38,;3.82,-13.91,;4.95,-14.96,;6.42,-14.5,;4.61,-16.46,;5.75,-17.5,;5.41,-19.01,;6.54,-20.05,;6.2,-21.55,;7.33,-22.6,;6.99,-24.1,;8.13,-25.14,;2.31,-14.22,;1.52,-15.54,;-.02,-15.52,;-.77,-14.18,;.02,-12.85,;1.56,-12.87,;3.15,-7.7,;4.31,-6.69,;5.77,-7.18,;4.01,-5.18,;2.55,-4.68,;2.25,-3.17,;.79,-2.68,;.49,-1.17,;-.37,-3.7,;-1.73,-3.16,;-3.23,-3.82,;-3.03,-5.23,;-1.46,-4.56,;-1.2,-2.62,;-1.66,-1.49,;-.07,-5.21,;1.39,-5.7,;1.69,-7.21,)| Show InChI InChI=1S/C47H57N7O7/c1-52(29-32-16-8-5-9-17-32)45(58)38(26-31-14-6-4-7-15-31)50-43(56)37(49-41(55)28-39-46(59)54-35-22-20-33(21-23-35)42(54)44(57)51-39)27-34-30-53(40-19-11-10-18-36(34)40)47(60)61-25-13-3-2-12-24-48/h4-11,14-19,30,33,35,37-39,42H,2-3,12-13,20-29,48H2,1H3,(H,49,55)(H,50,56)(H,51,57)/p+1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 244 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against rat NK-2 receptor |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50045035
(4-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCC(O)=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:48.51,11.11,44.47,wD:22.24,THB:46:48:51.50:53.54,(10.95,-12.84,;9.79,-13.85,;10.1,-15.36,;11.55,-15.86,;11.86,-17.37,;13.32,-17.86,;14.47,-16.84,;14.17,-15.33,;12.71,-14.84,;8.33,-13.36,;7.18,-14.38,;8.03,-11.85,;9.19,-10.83,;8.89,-9.32,;10.04,-8.31,;9.74,-6.8,;8.28,-6.3,;7.13,-7.32,;7.43,-8.83,;6.49,-11.83,;5.74,-10.49,;6.52,-9.16,;4.2,-10.47,;3.45,-9.13,;4.23,-7.8,;5.76,-7.66,;6.1,-6.16,;7.52,-5.55,;8.98,-6.04,;7.7,-4.02,;9.11,-3.41,;9.29,-1.88,;8.06,-.96,;10.7,-1.27,;4.78,-5.37,;4.48,-3.86,;3.02,-3.37,;1.86,-4.38,;2.16,-5.89,;3.62,-6.39,;3.41,-11.79,;1.87,-11.78,;1.12,-10.43,;1.09,-13.1,;-.45,-13.08,;-1.21,-11.74,;-2.75,-11.72,;-3.5,-10.38,;-3.53,-13.04,;-4.99,-12.96,;-6.22,-14.05,;-5.59,-15.32,;-4.31,-14.2,;-4.66,-12.28,;-5.44,-11.34,;-2.78,-14.39,;-1.24,-14.41,;-.48,-15.75,)| Show InChI InChI=1S/C44H48N6O8/c1-48(25-28-12-6-3-7-13-28)43(57)34(22-27-10-4-2-5-11-27)46-41(55)33(23-30-26-49(38(52)20-21-39(53)54)36-15-9-8-14-32(30)36)45-37(51)24-35-44(58)50-31-18-16-29(17-19-31)40(50)42(56)47-35/h2-15,26,29,31,33-35,40H,16-25H2,1H3,(H,45,51)(H,46,55)(H,47,56)(H,53,54) | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 388 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against rat NK-2 receptor |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50045032
(CHEMBL3144353 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-di...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:42.45,38.41,wD:22.24,11.12,THB:40:42:45.44:47.48,(10.71,-11.65,;10.41,-10.14,;11.57,-9.13,;13.03,-9.62,;14.18,-8.6,;15.64,-9.1,;15.94,-10.61,;14.79,-11.62,;13.33,-11.13,;8.95,-9.65,;8.65,-8.14,;7.8,-10.67,;8.1,-12.18,;6.94,-13.19,;7.24,-14.7,;6.09,-15.72,;4.63,-15.23,;4.33,-13.72,;5.48,-12.7,;6.34,-10.17,;5.18,-11.19,;4.54,-12.59,;3.72,-10.7,;3.42,-9.19,;4.58,-8.17,;6.08,-8.51,;6.87,-7.18,;8.4,-7.04,;5.85,-6.03,;6.03,-4.5,;4.79,-3.58,;3.38,-4.19,;3.2,-5.72,;4.43,-6.64,;2.56,-11.71,;1.11,-11.22,;.8,-9.71,;-.05,-12.24,;-1.51,-11.74,;-1.81,-10.23,;-3.27,-9.74,;-3.57,-8.23,;-4.43,-10.76,;-5.79,-10.22,;-7.29,-10.88,;-7.09,-12.29,;-5.52,-11.62,;-5.26,-9.68,;-5.72,-8.55,;-4.12,-12.27,;-2.67,-12.76,;-2.36,-14.27,)| Show InChI InChI=1S/C41H46N6O5/c1-45-25-29(31-15-9-10-16-35(31)45)22-32(42-36(48)23-34-41(52)47-30-19-17-28(18-20-30)37(47)39(50)44-34)38(49)43-33(21-26-11-5-3-6-12-26)40(51)46(2)24-27-13-7-4-8-14-27/h3-16,25,28,30,32-34,37H,17-24H2,1-2H3,(H,42,48)(H,43,49)(H,44,50) | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 489 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against rat NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50045033
(1N-[1-[1-benzyl(methyl)carbamoyl-2-phenyl-(1S)-eth...)Show SMILES CC(O)[C@H](NC(C)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C35H39N5O6/c1-23(42)32(36-24(2)43)34(45)37-29(19-27-21-40(22-41)31-17-11-10-16-28(27)31)33(44)38-30(18-25-12-6-4-7-13-25)35(46)39(3)20-26-14-8-5-9-15-26/h4-17,21-23,29-30,32,42H,18-20H2,1-3H3,(H,36,43)(H,37,45)(H,38,44)/t23?,29-,30+,32+/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 824 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for the binding affinity against rat neurokinin-2 (NK-2) receptor transfected on CHO cells using [125I]-His] NKA as radioligand |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50045036
(7-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:50.53,46.49,22.24,wD:11.11,THB:48:50:53.52:55.56,(11.12,-10.02,;9.98,-8.97,;11.14,-7.96,;12.6,-8.45,;13.76,-7.43,;15.21,-7.93,;15.52,-9.44,;14.36,-10.45,;12.9,-9.96,;8.52,-8.48,;8.22,-6.97,;7.37,-9.5,;7.67,-11.01,;9.13,-11.5,;10.29,-10.48,;11.74,-10.98,;12.05,-12.49,;10.89,-13.5,;9.43,-13.01,;5.91,-9,;4.75,-10.02,;5.05,-11.53,;3.29,-9.52,;2.14,-10.54,;2.44,-12.05,;3.84,-12.69,;3.66,-14.22,;4.79,-15.27,;6.26,-14.81,;4.45,-16.77,;5.58,-17.81,;5.25,-19.32,;6.38,-20.36,;6.04,-21.86,;7.17,-22.91,;6.83,-24.41,;2.15,-14.53,;1.36,-15.85,;-.18,-15.83,;-.93,-14.49,;-.15,-13.16,;1.39,-13.18,;2.99,-8.01,;4.15,-7,;5.61,-7.49,;3.85,-5.49,;2.39,-4.99,;2.09,-3.48,;.63,-2.99,;.32,-1.48,;-.53,-4.01,;-1.89,-3.47,;-3.39,-4.13,;-3.19,-5.54,;-1.63,-4.87,;-1.36,-2.93,;-1.82,-1.8,;-.23,-5.52,;1.23,-6.01,;1.53,-7.52,)| Show InChI InChI=1S/C47H57N7O6/c1-52(29-32-16-8-5-9-17-32)46(59)38(26-31-14-6-4-7-15-31)50-44(57)37(27-34-30-53(40-19-12-11-18-36(34)40)42(56)20-10-2-3-13-25-48)49-41(55)28-39-47(60)54-35-23-21-33(22-24-35)43(54)45(58)51-39/h4-9,11-12,14-19,30,33,35,37-39,43H,2-3,10,13,20-29,48H2,1H3,(H,49,55)(H,50,57)(H,51,58)/p+1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against rat NK-1 receptor |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50045039
(6-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:51.54,47.50,22.24,wD:11.12,THB:49:51:54.53:56.57,(11.28,-9.71,;10.14,-8.66,;11.3,-7.64,;12.76,-8.14,;13.92,-7.12,;15.38,-7.61,;15.68,-9.13,;14.52,-10.14,;13.06,-9.65,;8.69,-8.17,;8.38,-6.66,;7.53,-9.18,;7.83,-10.69,;9.29,-11.19,;10.45,-10.17,;11.91,-10.66,;12.21,-12.17,;11.05,-13.19,;9.59,-12.7,;6.07,-8.69,;4.91,-9.71,;5.22,-11.22,;3.46,-9.21,;2.3,-10.23,;2.6,-11.74,;4,-12.38,;3.82,-13.91,;4.95,-14.96,;6.42,-14.5,;4.61,-16.46,;5.75,-17.5,;5.41,-19.01,;6.54,-20.05,;6.2,-21.55,;7.33,-22.6,;6.99,-24.1,;8.13,-25.14,;2.31,-14.22,;1.52,-15.54,;-.02,-15.52,;-.77,-14.18,;.02,-12.85,;1.56,-12.87,;3.15,-7.7,;4.31,-6.69,;5.77,-7.18,;4.01,-5.18,;2.55,-4.68,;2.25,-3.17,;.79,-2.68,;.49,-1.17,;-.37,-3.7,;-1.73,-3.16,;-3.23,-3.82,;-3.03,-5.23,;-1.46,-4.56,;-1.2,-2.62,;-1.66,-1.49,;-.07,-5.21,;1.39,-5.7,;1.69,-7.21,)| Show InChI InChI=1S/C47H57N7O7/c1-52(29-32-16-8-5-9-17-32)45(58)38(26-31-14-6-4-7-15-31)50-43(56)37(49-41(55)28-39-46(59)54-35-22-20-33(21-23-35)42(54)44(57)51-39)27-34-30-53(40-19-11-10-18-36(34)40)47(60)61-25-13-3-2-12-24-48/h4-11,14-19,30,33,35,37-39,42H,2-3,12-13,20-29,48H2,1H3,(H,49,55)(H,50,56)(H,51,57)/p+1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against rat NK-1 receptor |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50045033
(1N-[1-[1-benzyl(methyl)carbamoyl-2-phenyl-(1S)-eth...)Show SMILES CC(O)[C@H](NC(C)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C35H39N5O6/c1-23(42)32(36-24(2)43)34(45)37-29(19-27-21-40(22-41)31-17-11-10-16-28(27)31)33(44)38-30(18-25-12-6-4-7-13-25)35(46)39(3)20-26-14-8-5-9-15-26/h4-17,21-23,29-30,32,42H,18-20H2,1-3H3,(H,36,43)(H,37,45)(H,38,44)/t23?,29-,30+,32+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for the binding affinity against rat neurokinin-1 (NK-1) receptor transfected on CHO cells using [125I]-Tyr] SP as radioligand |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50045037
(CHEMBL3144352 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-di...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:41.44,37.40,wD:11.11,22.24,THB:39:41:44.43:46.47,(10.7,-11.55,;10.4,-10.04,;11.55,-9.02,;13.01,-9.52,;14.17,-8.5,;15.63,-8.99,;15.93,-10.5,;14.77,-11.52,;13.31,-11.03,;8.94,-9.55,;8.63,-8.04,;7.78,-10.56,;8.08,-12.07,;6.93,-13.09,;7.23,-14.6,;6.07,-15.62,;4.61,-15.12,;4.31,-13.61,;5.47,-12.6,;6.32,-10.07,;5.16,-11.09,;4.52,-12.48,;3.71,-10.59,;3.4,-9.08,;4.56,-8.07,;6.06,-8.4,;6.85,-7.08,;5.83,-5.92,;6.01,-4.39,;4.78,-3.47,;3.36,-4.08,;3.18,-5.61,;4.42,-6.53,;2.55,-11.61,;1.09,-11.12,;.79,-9.61,;-.07,-12.13,;-1.53,-11.64,;-1.83,-10.13,;-3.29,-9.63,;-3.59,-8.12,;-4.44,-10.65,;-5.8,-10.12,;-7.3,-10.77,;-7.1,-12.18,;-5.54,-11.51,;-5.28,-9.58,;-5.73,-8.44,;-4.14,-12.16,;-2.68,-12.66,;-2.38,-14.17,)| Show InChI InChI=1S/C40H44N6O5/c1-45(24-26-12-6-3-7-13-26)39(50)33(20-25-10-4-2-5-11-25)43-37(48)32(21-28-23-41-31-15-9-8-14-30(28)31)42-35(47)22-34-40(51)46-29-18-16-27(17-19-29)36(46)38(49)44-34/h2-15,23,27,29,32-34,36,41H,16-22,24H2,1H3,(H,42,47)(H,43,48)(H,44,49) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against rat NK-1 receptor transfected on CHO cells using [125I]-Tyr] SP as radioligand |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50045040
(CHEMBL3144343 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-di...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:43.46,11.11,39.42,22.24,THB:41:43:46.45:48.49,(10.33,-13,;9.17,-14.02,;9.47,-15.53,;10.93,-16.02,;11.23,-17.53,;12.69,-18.03,;13.85,-17.01,;13.55,-15.5,;12.09,-15.01,;7.71,-13.52,;6.56,-14.54,;7.41,-12.01,;8.57,-11,;8.26,-9.49,;9.42,-8.47,;9.12,-6.96,;7.66,-6.47,;6.5,-7.48,;6.81,-8.99,;5.95,-11.52,;5.65,-10.01,;5.99,-8.51,;4.19,-9.52,;3.03,-10.53,;3.34,-12.04,;4.73,-12.69,;4.56,-14.22,;5.69,-15.26,;5.35,-16.76,;3.05,-14.52,;2.26,-15.84,;.72,-15.82,;-.03,-14.48,;.75,-13.16,;2.29,-13.18,;3.89,-8.01,;2.43,-7.51,;1.27,-8.53,;2.13,-6,;.67,-5.51,;.37,-4,;-1.09,-3.51,;-1.39,-2,;-2.25,-4.52,;-3.61,-3.99,;-5.11,-4.65,;-4.91,-6.06,;-3.34,-5.39,;-3.08,-3.45,;-3.54,-2.32,;-1.95,-6.03,;-.49,-6.53,;-.19,-8.04,)| Show InChI InChI=1S/C41H44N6O6/c1-45(23-27-12-6-3-7-13-27)40(52)33(20-26-10-4-2-5-11-26)43-38(50)32(21-29-24-46(25-48)35-15-9-8-14-31(29)35)42-36(49)22-34-41(53)47-30-18-16-28(17-19-30)37(47)39(51)44-34/h2-15,24-25,28,30,32-34,37H,16-23H2,1H3,(H,42,49)(H,43,50)(H,44,51) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against rat NK-1 receptor transfected on CHO cells using [125I]-Tyr] SP as radioligand |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50045035
(4-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCC(O)=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:48.51,11.11,44.47,wD:22.24,THB:46:48:51.50:53.54,(10.95,-12.84,;9.79,-13.85,;10.1,-15.36,;11.55,-15.86,;11.86,-17.37,;13.32,-17.86,;14.47,-16.84,;14.17,-15.33,;12.71,-14.84,;8.33,-13.36,;7.18,-14.38,;8.03,-11.85,;9.19,-10.83,;8.89,-9.32,;10.04,-8.31,;9.74,-6.8,;8.28,-6.3,;7.13,-7.32,;7.43,-8.83,;6.49,-11.83,;5.74,-10.49,;6.52,-9.16,;4.2,-10.47,;3.45,-9.13,;4.23,-7.8,;5.76,-7.66,;6.1,-6.16,;7.52,-5.55,;8.98,-6.04,;7.7,-4.02,;9.11,-3.41,;9.29,-1.88,;8.06,-.96,;10.7,-1.27,;4.78,-5.37,;4.48,-3.86,;3.02,-3.37,;1.86,-4.38,;2.16,-5.89,;3.62,-6.39,;3.41,-11.79,;1.87,-11.78,;1.12,-10.43,;1.09,-13.1,;-.45,-13.08,;-1.21,-11.74,;-2.75,-11.72,;-3.5,-10.38,;-3.53,-13.04,;-4.99,-12.96,;-6.22,-14.05,;-5.59,-15.32,;-4.31,-14.2,;-4.66,-12.28,;-5.44,-11.34,;-2.78,-14.39,;-1.24,-14.41,;-.48,-15.75,)| Show InChI InChI=1S/C44H48N6O8/c1-48(25-28-12-6-3-7-13-28)43(57)34(22-27-10-4-2-5-11-27)46-41(55)33(23-30-26-49(38(52)20-21-39(53)54)36-15-9-8-14-32(30)36)45-37(51)24-35-44(58)50-31-18-16-29(17-19-31)40(50)42(56)47-35/h2-15,26,29,31,33-35,40H,16-25H2,1H3,(H,45,51)(H,46,55)(H,47,56)(H,53,54) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against rat NK-1 receptor |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50045032
(CHEMBL3144353 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-di...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:42.45,38.41,wD:22.24,11.12,THB:40:42:45.44:47.48,(10.71,-11.65,;10.41,-10.14,;11.57,-9.13,;13.03,-9.62,;14.18,-8.6,;15.64,-9.1,;15.94,-10.61,;14.79,-11.62,;13.33,-11.13,;8.95,-9.65,;8.65,-8.14,;7.8,-10.67,;8.1,-12.18,;6.94,-13.19,;7.24,-14.7,;6.09,-15.72,;4.63,-15.23,;4.33,-13.72,;5.48,-12.7,;6.34,-10.17,;5.18,-11.19,;4.54,-12.59,;3.72,-10.7,;3.42,-9.19,;4.58,-8.17,;6.08,-8.51,;6.87,-7.18,;8.4,-7.04,;5.85,-6.03,;6.03,-4.5,;4.79,-3.58,;3.38,-4.19,;3.2,-5.72,;4.43,-6.64,;2.56,-11.71,;1.11,-11.22,;.8,-9.71,;-.05,-12.24,;-1.51,-11.74,;-1.81,-10.23,;-3.27,-9.74,;-3.57,-8.23,;-4.43,-10.76,;-5.79,-10.22,;-7.29,-10.88,;-7.09,-12.29,;-5.52,-11.62,;-5.26,-9.68,;-5.72,-8.55,;-4.12,-12.27,;-2.67,-12.76,;-2.36,-14.27,)| Show InChI InChI=1S/C41H46N6O5/c1-45-25-29(31-15-9-10-16-35(31)45)22-32(42-36(48)23-34-41(52)47-30-19-17-28(18-20-30)37(47)39(50)44-34)38(49)43-33(21-26-11-5-3-6-12-26)40(51)46(2)24-27-13-7-4-8-14-27/h3-16,25,28,30,32-34,37H,17-24H2,1-2H3,(H,42,48)(H,43,49)(H,44,50) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.61E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against rat NK-1 receptor transfected on CHO cells using [125I]-Tyr] SP as radioligand |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
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