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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50099644'   
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))
BDBM50099644
PNG
(3-(4-Isopropyl-piperazin-1-ylmethyl)-2-phenyl-quin...)
Show SMILES CC(C)N1CCN(Cc2c(nc3ccccc3c2C(=O)NC2CCCCC2)-c2ccccc2)CC1
Show InChI InChI=1S/C30H38N4O/c1-22(2)34-19-17-33(18-20-34)21-26-28(30(35)31-24-13-7-4-8-14-24)25-15-9-10-16-27(25)32-29(26)23-11-5-3-6-12-23/h3,5-6,9-12,15-16,22,24H,4,7-8,13-14,17-21H2,1-2H3,(H,31,35)
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PC cid
PC sid
UniChem
PubMed
4.20n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair