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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 = 'BDBM50129519'   
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))		BDBM50129519
PNG
(4-(1-{2-[1-Benzenesulfonyl-3-(3,4-dichloro-phenyl)...)
Show SMILES Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCOCC2)CCN(C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H31Cl2N3O3S/c26-23-7-6-20(16-24(23)27)25(8-10-28-17-21(18-28)29-12-14-33-15-13-29)9-11-30(19-25)34(31,32)22-4-2-1-3-5-22/h1-7,16,21H,8-15,17-19H2
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PC cid
PC sid
UniChem
PubMed
n/an/a 6.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human tachykinin receptor 2 expressed in CHO cells using [125I]- NKA radioligand

Bioorg Med Chem Lett 13: 2211-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D799TN
More data for this
Ligand-Target Pair