Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50339632'   

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-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50339632 (1-(Benzo[d][1,3]dioxole-6-carbonyl)-3-(4-phenylphe...) Show SMILES O=C(NC(=O)c1ccc2OCOc2c1)Nc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H16N2O4/c24-20(16-8-11-18-19(12-16)27-13-26-18)23-21(25)22-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h1-12H,13H2,(H2,22,23,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
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