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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 = 'BDBM50120182'   
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))		BDBM50120182
PNG
(CHEMBL107469 | N-[4-(4-{2-[(R)-2-(3,4-Dichloro-phe...)
Show SMILES CC(=O)Nc1nc(CN2CCC(CC2)NCC(=O)N2CCN(C[C@H]2c2ccc(Cl)c(Cl)c2)C(=O)c2cc(C)cc(C)c2)cs1
Show InChI InChI=1S/C32H38Cl2N6O3S/c1-20-12-21(2)14-24(13-20)31(43)39-10-11-40(29(18-39)23-4-5-27(33)28(34)15-23)30(42)16-35-25-6-8-38(9-7-25)17-26-19-44-32(37-26)36-22(3)41/h4-5,12-15,19,25,29,35H,6-11,16-18H2,1-3H3,(H,36,37,41)/t29-/m0/s1
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 52n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair