Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50274434'   

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))	BDBM50274434 (CHEMBL4128658) Show SMILES CN(C1CCN(CCCN2CCCc3c(NCCc4ccc(Cl)c(Cl)c4)nccc3C2=O)CC1)S(C)(=O)=O Show InChI InChI=1S/C27H37Cl2N5O3S/c1-32(38(2,36)37)21-10-17-33(18-11-21)14-4-16-34-15-3-5-22-23(27(34)35)9-13-31-26(22)30-12-8-20-6-7-24(28)25(29)19-20/h6-7,9,13,19,21H,3-5,8,10-12,14-18H2,1-2H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				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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