Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50274429'   

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))	BDBM50274429 (CHEMBL4126162) Show SMILES CN(C1CCN(CC1)C1CCN(CC1)C(=O)c1ncnc(N2CCc3ccc(cc3C2)C(F)(F)F)c1C)S(C)(=O)=O Show InChI InChI=1S/C28H37F3N6O3S/c1-19-25(32-18-33-26(19)37-11-6-20-4-5-22(28(29,30)31)16-21(20)17-37)27(38)36-14-9-24(10-15-36)35-12-7-23(8-13-35)34(2)41(3,39)40/h4-5,16,18,23-24H,6-15,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	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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