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BDBM50211121 (R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)-N-(pyridin-3-ylmethyl)-2-(4-(trifluoromethyl)phenyl)acetamide::CHEMBL231486

SMILES: C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(cc1)C#N

InChI Key: InChIKey=XMEUKTYTXDDOSY-OAQYLSRUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50211121   
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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))		BDBM50211121
PNG
((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydroquina...)
Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(cc1)C#N
Show InChI InChI=1S/C32H24F3N5O2/c1-21(30-38-28-7-3-2-6-27(28)31(42)40(30)26-14-10-23(18-36)11-15-26)39(20-24-5-4-16-37-19-24)29(41)17-22-8-12-25(13-9-22)32(33,34)35/h2-16,19,21H,17,20H2,1H3/t21-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I ]IP10 from CXCR3 receptor expressed in PBMC

Bioorg Med Chem Lett 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair