Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50359122'   

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))	BDBM50359122 (CHEMBL1922794) Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ncccc12)C1CCN(CC1)C(=O)C=Cc1cc(F)c(F)c(F)c1 |w:28.31,(11.21,5.58,;12.54,4.81,;13.87,5.58,;12.53,3.27,;11.2,2.5,;11.2,.96,;9.86,.2,;9.85,-1.33,;11.18,-2.11,;12.52,-1.34,;12.53,.2,;11.18,-3.65,;9.94,-4.56,;10.42,-6.02,;11.95,-6.01,;12.98,-7.15,;14.48,-6.83,;14.95,-5.36,;13.92,-4.23,;12.43,-4.55,;13.87,2.5,;13.85,.95,;15.18,.18,;16.52,.94,;16.52,2.48,;15.19,3.26,;17.84,.16,;17.83,-1.38,;19.18,.92,;20.51,.14,;21.85,.9,;21.85,2.44,;23.18,3.2,;23.19,4.74,;24.52,2.42,;25.86,3.19,;24.51,.88,;25.84,.1,;23.17,.12,)| Show InChI InChI=1S/C29H32F3N5O2/c30-23-14-17(15-24(31)26(23)32)3-8-25(38)37-12-9-19(10-13-37)27(28(33)39)36-20-6-4-18(5-7-20)22-16-35-29-21(22)2-1-11-34-29/h1-3,8,11,14-16,18-20,27,36H,4-7,9-10,12-13H2,(H2,33,39)(H,34,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human CCR2				Bioorg Med Chem Lett 21: 7496-501 (2011) Article DOI: 10.1016/j.bmcl.2011.09.113 BindingDB Entry DOI: 10.7270/Q22J6C9M
					More data for this Ligand-Target Pair