Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 3' and Ligand = 'BDBM50375121'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50375121 (CHEMBL257038) Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(C[C@@H]2CCCN(C2)C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50375121 (CHEMBL257038) Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(C[C@@H]2CCCN(C2)C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Mus musculus)	BDBM50375121 (CHEMBL257038) Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(C[C@@H]2CCCN(C2)C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from mouse CXCR3 expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair