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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50110646'   
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-P receptor


(Homo sapiens (Human))		BDBM50110646
PNG
(3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-5-(2-oxo-[...)
Show SMILES CN(C\C(=N/OCCCn1cncn1)C(CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C34H41Cl4N7O3/c1-42(34(47)25-17-26(35)20-27(36)18-25)21-32(41-48-16-4-11-44-23-39-22-40-44)29(24-6-7-30(37)31(38)19-24)10-15-43-13-8-28(9-14-43)45-12-3-2-5-33(45)46/h6-7,17-20,22-23,28-29H,2-5,8-16,21H2,1H3/b41-32+
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Similars
PubMed
 0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as a radioligand

Bioorg Med Chem Lett 12: 833-6 (2002)


BindingDB Entry DOI: 10.7270/Q2BG2N96
More data for this
Ligand-Target Pair