Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C motif chemokine 2' and Ligand = 'BDBM50440545'   

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 motif chemokine 2 (Homo sapiens (Human))	BDBM50440545 (CHEMBL2426345) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCCc2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H32F6N2O/c1-17(2)26(11-10-22(15-26)36-24-9-5-7-19-6-3-4-8-23(19)24)25(37)35-16-18-12-20(27(29,30)31)14-21(13-18)28(32,33)34/h3-4,6,8,12-14,17,22,24,36H,5,7,9-11,15-16H2,1-2H3,(H,35,37)/t22-,24?,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair