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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 = 'BDBM50033825'   
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))		BDBM50033825
PNG
(3-(3,5-Bis-trifluoromethyl-benzyl)-5-(1H-indol-3-y...)
Show SMILES Cn1c(Cc2c[nH]c3ccccc23)c(O)n(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1=O
Show InChI InChI=1S/C22H17F6N3O2/c1-30-18(8-13-10-29-17-5-3-2-4-16(13)17)19(32)31(20(30)33)11-12-6-14(21(23,24)25)9-15(7-12)22(26,27)28/h2-7,9-10,29,32H,8,11H2,1H3
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n/an/a 153n/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