BDBM50359116 CHEMBL1922800

SMILES: CC(C)C1CCC(CC1)NC(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)C(N)=O

InChI Key: InChIKey=ZEQGJVLLWFVQDG-FPYGCLRLSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50359116   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50359116 (CHEMBL1922800) Show SMILES CC(C)C1CCC(CC1)NC(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)C(N)=O |(52.35,-20.41,;51.02,-19.63,;49.68,-20.4,;51.03,-18.1,;49.7,-17.32,;49.7,-15.79,;51.04,-15.03,;52.37,-15.79,;52.37,-17.33,;51.04,-13.49,;52.38,-12.72,;53.71,-13.49,;53.7,-15.04,;55.02,-15.81,;56.36,-15.05,;56.37,-13.51,;55.04,-12.73,;57.69,-15.83,;57.68,-17.37,;59.03,-15.07,;60.36,-15.85,;61.7,-15.09,;61.7,-13.55,;63.03,-12.79,;63.03,-11.25,;64.37,-13.57,;65.7,-12.81,;64.36,-15.11,;65.68,-15.89,;63.02,-15.87,;52.38,-11.18,;51.05,-10.41,;53.72,-10.41,)| Show InChI InChI=1S/C25H34F3N3O2/c1-15(2)17-4-6-19(7-5-17)30-24(25(29)33)18-9-11-31(12-10-18)22(32)8-3-16-13-20(26)23(28)21(27)14-16/h3,8,13-15,17-19,24,30H,4-7,9-12H2,1-2H3,(H2,29,33)/b8-3+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+4	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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