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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 = 'BDBM50099518'   
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))		BDBM50099518
PNG
(3-[2-(4-Chloro-phenyl)-1H-indol-3-yl]-1-[4-(2-meth...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H28ClN3O2/c1-34-26-9-5-4-8-25(26)31-16-18-32(19-17-31)27(33)15-14-23-22-6-2-3-7-24(22)30-28(23)20-10-12-21(29)13-11-20/h2-13,30H,14-19H2,1H3
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n/an/a 31n/an/an/an/an/an/a



The Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells

Bioorg Med Chem Lett 11: 1233-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0FDF
More data for this
Ligand-Target Pair