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SMILES: CC1(Cc2c[nH]c3ccccc23)OC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O

InChI Key: InChIKey=JFBCXOANABQRMF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50033814   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Substance-P receptor


(Homo sapiens (Human))		BDBM50033814
PNG
(3-(3,5-Bis-trifluoromethyl-benzyl)-5-(1H-indol-3-y...)
Show SMILES CC1(Cc2c[nH]c3ccccc23)OC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O
Show InChI InChI=1S/C22H16F6N2O3/c1-20(9-13-10-29-17-5-3-2-4-16(13)17)18(31)30(19(32)33-20)11-12-6-14(21(23,24)25)8-15(7-12)22(26,27)28/h2-8,10,29H,9,11H2,1H3
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MMDB

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n/an/a 11n/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