BDBM50211130 (R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)-N-(pyridin-3-ylmethyl)-2-(4-(trifluoromethoxy)phenyl)acetamide::CHEMBL230664

SMILES: CCOc1ccc(cc1)-n1c(nc2ccccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=XNXWOIMDVSPJGZ-JOCHJYFZSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50211130   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human))	BDBM50211130 ((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquin...) Show SMILES CCOc1ccc(cc1)-n1c(nc2ccccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C33H29F3N4O4/c1-3-43-26-16-12-25(13-17-26)40-31(38-29-9-5-4-8-28(29)32(40)42)22(2)39(21-24-7-6-18-37-20-24)30(41)19-23-10-14-27(15-11-23)44-33(34,35)36/h4-18,20,22H,3,19,21H2,1-2H3/t22-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-1P10 from human CXCR3 expressed in PBMC after 2 hrs in RPMI buffer by scintillation counting				Bioorg Med Chem Lett 19: 5114-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.032 BindingDB Entry DOI: 10.7270/Q2FX79KZ
					More data for this Ligand-Target Pair
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human))	BDBM50211130 ((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquin...) Show SMILES CCOc1ccc(cc1)-n1c(nc2ccccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C33H29F3N4O4/c1-3-43-26-16-12-25(13-17-26)40-31(38-29-9-5-4-8-28(29)32(40)42)22(2)39(21-24-7-6-18-37-20-24)30(41)19-23-10-14-27(15-11-23)44-33(34,35)36/h4-18,20,22H,3,19,21H2,1-2H3/t22-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/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
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human))	BDBM50211130 ((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquin...) Show SMILES CCOc1ccc(cc1)-n1c(nc2ccccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C33H29F3N4O4/c1-3-43-26-16-12-25(13-17-26)40-31(38-29-9-5-4-8-28(29)32(40)42)22(2)39(21-24-7-6-18-37-20-24)30(41)19-23-10-14-27(15-11-23)44-33(34,35)36/h4-18,20,22H,3,19,21H2,1-2H3/t22-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Antagonist activity against human CXCR3 expressed in human PBMC assessed as inhibition of cell migration in response to ITAC in plasma				Bioorg Med Chem Lett 19: 5114-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.032 BindingDB Entry DOI: 10.7270/Q2FX79KZ
					More data for this Ligand-Target Pair