Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50359140'   

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))	BDBM50359140 (CHEMBL1922824) Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C/c1cc(F)cc(F)c1 |(-8.3,4.99,;-6.97,4.22,;-5.63,4.99,;-6.97,2.68,;-8.31,1.91,;-8.31,.37,;-9.65,-.39,;-9.65,-1.92,;-8.32,-2.7,;-6.99,-1.93,;-6.98,-.39,;-8.33,-4.24,;-9.57,-5.15,;-9.09,-6.61,;-7.56,-6.6,;-6.53,-7.74,;-5.02,-7.42,;-4.55,-5.95,;-5.58,-4.82,;-7.08,-5.14,;-5.64,1.91,;-5.66,.36,;-4.33,-.41,;-2.99,.35,;-2.98,1.89,;-4.32,2.67,;-1.66,-.43,;-1.67,-1.97,;-.32,.33,;1,-.44,;1,-1.98,;2.34,-2.74,;2.35,-4.27,;3.68,-5.04,;1.01,-5.05,;-.33,-4.29,;-1.66,-5.06,;-.33,-2.75,)| Show InChI InChI=1S/C30H34F2N4O2/c31-22-15-19(16-23(32)17-22)5-10-28(37)36-13-11-21(12-14-36)29(30(33)38)35-24-8-6-20(7-9-24)26-18-34-27-4-2-1-3-25(26)27/h1-5,10,15-18,20-21,24,29,34-35H,6-9,11-14H2,(H2,33,38)/b10-5-	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	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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