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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 = 'BDBM50033829'   
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))		BDBM50033829
PNG
(5-Allyl-3-(3,5-bis-trifluoromethyl-benzyl)-5-(1H-i...)
Show SMILES FC(F)(F)c1cc(CN2C(=O)OC(CC=C)(Cc3c[nH]c4ccccc34)C2=O)cc(c1)C(F)(F)F
Show InChI InChI=1S/C24H18F6N2O3/c1-2-7-22(11-15-12-31-19-6-4-3-5-18(15)19)20(33)32(21(34)35-22)13-14-8-16(23(25,26)27)10-17(9-14)24(28,29)30/h2-6,8-10,12,31H,1,7,11,13H2
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n/an/a 31n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.

J Med Chem 38: 923-33 (1995)


BindingDB Entry DOI: 10.7270/Q25D8SG4
More data for this
Ligand-Target Pair