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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50051289'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Substance-K receptor


(Homo sapiens (Human))
BDBM50051289
PNG
((R)-Phenyl-[(2-phenyl-quinoline-4-carbonyl)-amino]...)
Show SMILES COC(=O)[C@H](NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20N2O3/c1-30-25(29)23(18-12-6-3-7-13-18)27-24(28)20-16-22(17-10-4-2-5-11-17)26-21-15-9-8-14-19(20)21/h2-16,23H,1H3,(H,27,28)/t23-/m1/s1
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MCE
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Article
PubMed
1.22E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A. Milano

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Neurokinin A (NKA) binding in human Tachykinin receptor 2 of chinese hamster ovary (hNK-2-CHO) cell membranes.


J Med Chem 40: 1794-807 (1997)


Article DOI: 10.1021/jm960818o
BindingDB Entry DOI: 10.7270/Q24T6HHB
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50051289
PNG
((R)-Phenyl-[(2-phenyl-quinoline-4-carbonyl)-amino]...)
Show SMILES COC(=O)[C@H](NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20N2O3/c1-30-25(29)23(18-12-6-3-7-13-18)27-24(28)20-16-22(17-10-4-2-5-11-17)26-21-15-9-8-14-19(20)21/h2-16,23H,1H3,(H,27,28)/t23-/m1/s1
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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


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Article
PubMed
8.33E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding Affinity of [125I]NKA towards Tachykinin receptor 2-CHO cell membranes (n=3-8)


J Med Chem 39: 2281-4 (1996)


Article DOI: 10.1021/jm9602423
BindingDB Entry DOI: 10.7270/Q22J6CJR
More data for this
Ligand-Target Pair