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SMILES: Oc1c(Cc2c[nH]c3ccccc23)oc(=O)n1Cc1cc(F)cc(F)c1

InChI Key: InChIKey=SNZAULYYGBIRKT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50033816   
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))		BDBM50033816
PNG
(3-(3,5-Difluoro-benzyl)-5-(1H-indol-3-ylmethyl)-ox...)
Show SMILES Oc1c(Cc2c[nH]c3ccccc23)oc(=O)n1Cc1cc(F)cc(F)c1
Show InChI InChI=1S/C19H14F2N2O3/c20-13-5-11(6-14(21)8-13)10-23-18(24)17(26-19(23)25)7-12-9-22-16-4-2-1-3-15(12)16/h1-6,8-9,22,24H,7,10H2
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MMDB

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PubMed
n/an/a 4.28E+3n/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