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BDBM50211148 (R)-N-(1-(4-oxo-3-(4-(prop-1-ynyl)phenyl)-3,4-dihydroquinazolin-2-yl)ethyl)-N-(pyridin-3-ylmethyl)-2-(4-(trifluoromethyl)phenyl)acetamide::CHEMBL395745

SMILES: CC#Cc1ccc(cc1)-n1c(nc2ccccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=SLUKNYYAAXPWSS-HSZRJFAPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50211148   
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))		BDBM50211148
PNG
((R)-N-(1-(4-oxo-3-(4-(prop-1-ynyl)phenyl)-3,4-dihy...)
Show SMILES CC#Cc1ccc(cc1)-n1c(nc2ccccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C34H27F3N4O2/c1-3-7-24-13-17-28(18-14-24)41-32(39-30-10-5-4-9-29(30)33(41)43)23(2)40(22-26-8-6-19-38-21-26)31(42)20-25-11-15-27(16-12-25)34(35,36)37/h4-6,8-19,21,23H,20,22H2,1-2H3/t23-/m1/s1
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n/an/a 4n/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