BDBM50359118 CHEMBL1922798

SMILES: NC(=O)C(NC1CCC(CC1)c1ccccc1)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1

InChI Key: InChIKey=WPUAOKZCSJTXMC-IZZDOVSWSA-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 = 50359118   

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))	BDBM50359118 (CHEMBL1922798) Show SMILES NC(=O)C(NC1CCC(CC1)c1ccccc1)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(10.21,-10.17,;11.54,-10.94,;12.88,-10.17,;11.54,-12.48,;10.2,-13.25,;10.2,-14.79,;8.86,-15.55,;8.86,-17.08,;10.19,-17.86,;11.53,-17.09,;11.53,-15.55,;10.18,-19.39,;8.84,-20.16,;8.83,-21.7,;10.17,-22.47,;11.51,-21.7,;11.51,-20.16,;12.87,-13.25,;12.86,-14.8,;14.18,-15.57,;15.52,-14.81,;15.53,-13.27,;14.2,-12.49,;16.85,-15.59,;16.84,-17.13,;18.19,-14.83,;19.52,-15.61,;20.85,-14.85,;20.86,-13.31,;22.19,-12.55,;22.19,-11.01,;23.53,-13.33,;24.86,-12.56,;23.51,-14.87,;24.84,-15.65,;22.18,-15.63,)| Show InChI InChI=1S/C28H32F3N3O2/c29-23-16-18(17-24(30)26(23)31)6-11-25(35)34-14-12-21(13-15-34)27(28(32)36)33-22-9-7-20(8-10-22)19-4-2-1-3-5-19/h1-6,11,16-17,20-22,27,33H,7-10,12-15H2,(H2,32,36)/b11-6+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+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
					More data for this Ligand-Target Pair