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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 = 'BDBM50033822'   
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))		BDBM50033822
PNG
(1-(3,5-Bis-trifluoromethyl-benzyl)-4-(1H-indol-3-y...)
Show SMILES FC(F)(F)c1cc(CN2CC(Cc3c[nH]c4ccccc34)NC2=O)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H17F6N3O/c22-20(23,24)14-5-12(6-15(8-14)21(25,26)27)10-30-11-16(29-19(30)31)7-13-9-28-18-4-2-1-3-17(13)18/h1-6,8-9,16,28H,7,10-11H2,(H,29,31)
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n/an/a 267n/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