Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50359121'   

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))	BDBM50359121 (CHEMBL1922795) Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2cnccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(32.32,5.53,;33.66,4.76,;34.99,5.52,;33.65,3.22,;32.31,2.45,;32.31,.91,;30.97,.15,;30.97,-1.39,;32.3,-2.16,;33.64,-1.39,;33.64,.15,;32.3,-3.7,;31.05,-4.61,;31.53,-6.08,;33.07,-6.07,;34.1,-7.21,;35.6,-6.89,;36.07,-5.41,;35.04,-4.28,;33.54,-4.6,;34.98,2.44,;34.97,.9,;36.29,.13,;37.63,.89,;37.64,2.43,;36.31,3.21,;38.96,.11,;38.95,-1.43,;40.3,.87,;41.63,.09,;42.97,.85,;42.97,2.38,;44.3,3.15,;44.3,4.69,;45.64,2.37,;46.98,3.13,;45.63,.83,;46.95,.05,;44.29,.07,)| Show InChI InChI=1S/C29H32F3N5O2/c30-23-13-17(14-24(31)27(23)32)1-6-26(38)37-11-8-19(9-12-37)28(29(33)39)36-20-4-2-18(3-5-20)22-15-35-25-16-34-10-7-21(22)25/h1,6-7,10,13-16,18-20,28,35-36H,2-5,8-9,11-12H2,(H2,33,39)/b6-1+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	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
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