BDBM50359131 CHEMBL1922785

SMILES: Fc1cc(\C=C\C(=O)N2CCC(CNC3CCC(CC3)c3c[nH]c4ccccc34)CC2)cc(F)c1F

InChI Key: InChIKey=JHHUTEWZBAWMTM-BJMVGYQFSA-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 = 50359131   

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))	BDBM50359131 (CHEMBL1922785) Show SMILES Fc1cc(\C=C\C(=O)N2CCC(CNC3CCC(CC3)c3c[nH]c4ccccc34)CC2)cc(F)c1F |(26.61,-9.12,;26.61,-10.66,;25.27,-11.42,;25.27,-12.96,;23.93,-13.72,;22.6,-12.94,;21.27,-13.7,;21.26,-15.24,;19.94,-12.92,;18.6,-13.68,;17.27,-12.91,;17.29,-11.36,;15.96,-10.59,;14.62,-11.36,;14.62,-12.9,;13.28,-13.66,;13.28,-15.19,;14.61,-15.97,;15.94,-15.2,;15.95,-13.66,;14.6,-17.51,;13.36,-18.42,;13.84,-19.88,;15.37,-19.87,;16.4,-21.01,;17.91,-20.69,;18.38,-19.22,;17.35,-18.09,;15.85,-18.41,;18.61,-10.6,;19.95,-11.38,;26.59,-13.74,;27.93,-12.98,;29.26,-13.76,;27.94,-11.44,;29.28,-10.67,)| Show InChI InChI=1S/C29H32F3N3O/c30-25-15-20(16-26(31)29(25)32)5-10-28(36)35-13-11-19(12-14-35)17-33-22-8-6-21(7-9-22)24-18-34-27-4-2-1-3-23(24)27/h1-5,10,15-16,18-19,21-22,33-34H,6-9,11-14,17H2/b10-5+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+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
					More data for this Ligand-Target Pair