Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 3' and Ligand = 'BDBM50175174'   

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))	BDBM50175174 (4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(thiophe...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1ccsc1)C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C28H31Cl2N5O3S/c1-2-31-28(38)35-12-3-11-34(13-14-35)25-7-5-20(16-24(25)33-27(37)21-9-15-39-18-21)26(36)32-10-8-19-4-6-22(29)17-23(19)30/h4-7,9,15-18H,2-3,8,10-14H2,1H3,(H,31,38)(H,32,36)(H,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
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