BDBM50359130 CHEMBL1922786

SMILES: CC(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1

InChI Key: InChIKey=DLTKOAHMDSNZNU-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 = 50359130   

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))	BDBM50359130 (CHEMBL1922786) Show SMILES CC(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(40.78,-8.87,;40.78,-10.41,;39.44,-11.18,;39.44,-12.72,;38.1,-13.48,;38.1,-15.01,;39.43,-15.79,;40.76,-15.02,;40.77,-13.48,;39.42,-17.33,;38.18,-18.24,;38.66,-19.7,;40.19,-19.69,;41.22,-20.83,;42.72,-20.51,;43.2,-19.04,;42.16,-17.91,;40.67,-18.23,;42.11,-11.18,;42.09,-12.73,;43.42,-13.5,;44.76,-12.74,;44.76,-11.2,;43.43,-10.42,;46.09,-13.52,;46.07,-15.06,;47.42,-12.76,;48.75,-13.54,;50.09,-12.78,;50.09,-11.24,;51.42,-10.48,;51.43,-8.94,;52.76,-11.26,;54.1,-10.5,;52.75,-12.8,;54.08,-13.58,;51.41,-13.56,)| Show InChI InChI=1S/C30H34F3N3O/c1-19(35-23-9-7-22(8-10-23)25-18-34-28-5-3-2-4-24(25)28)21-12-14-36(15-13-21)29(37)11-6-20-16-26(31)30(33)27(32)17-20/h2-6,11,16-19,21-23,34-35H,7-10,12-15H2,1H3/b11-6+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+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