Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50274430'   

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))	BDBM50274430 (CHEMBL4127496) Show SMILES CCS(=O)(=O)N(C)C1CCN(CC1)C1CCN(CC1)C(=O)c1ncnc(NCc2ccc(Cl)c(Cl)c2)c1C Show InChI InChI=1S/C26H36Cl2N6O3S/c1-4-38(36,37)32(3)20-7-11-33(12-8-20)21-9-13-34(14-10-21)26(35)24-18(2)25(31-17-30-24)29-16-19-5-6-22(27)23(28)15-19/h5-6,15,17,20-21H,4,7-14,16H2,1-3H3,(H,29,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24	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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