Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50274480'   

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))	BDBM50274480 (CHEMBL4128015) Show SMILES CN(C1CCN(CCCN2CCCc3c(Nc4cccc(c4)C(F)(F)F)nccc3C2=O)CC1)S(C)(=O)=O Show InChI InChI=1S/C26H34F3N5O3S/c1-32(38(2,36)37)21-10-16-33(17-11-21)13-5-15-34-14-4-8-22-23(25(34)35)9-12-30-24(22)31-20-7-3-6-19(18-20)26(27,28)29/h3,6-7,9,12,18,21H,4-5,8,10-11,13-17H2,1-2H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+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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