Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50274428'   

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))	BDBM50274428 (CHEMBL4127538) Show SMILES COC1COCCC1NC1CCN(CC1)C(=O)c1ncnc(Nc2ccc(Cl)c(Cl)c2)c1C Show InChI InChI=1S/C23H29Cl2N5O3/c1-14-21(26-13-27-22(14)29-16-3-4-17(24)18(25)11-16)23(31)30-8-5-15(6-9-30)28-19-7-10-33-12-20(19)32-2/h3-4,11,13,15,19-20,28H,5-10,12H2,1-2H3,(H,26,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Binding affinity to human CCR2				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
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