BDBM50359133 CHEMBL1922783

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

InChI Key: InChIKey=NCTAKPNXSOGDDO-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 = 50359133   

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))	BDBM50359133 (CHEMBL1922783) Show SMILES OC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(42.15,5.56,;43.48,4.79,;44.81,5.55,;43.47,3.25,;42.14,2.48,;42.14,.94,;40.8,.18,;40.79,-1.35,;42.12,-2.13,;43.46,-1.36,;43.47,.18,;42.12,-3.67,;40.88,-4.58,;41.36,-6.04,;42.89,-6.03,;43.92,-7.17,;45.42,-6.85,;45.89,-5.38,;44.86,-4.25,;43.37,-4.57,;44.81,2.47,;44.79,.93,;46.12,.16,;47.46,.92,;47.46,2.46,;46.13,3.24,;48.78,.14,;48.77,-1.4,;50.12,.9,;51.45,.12,;52.79,.88,;52.79,2.41,;54.12,3.18,;54.13,4.72,;55.46,2.4,;56.8,3.16,;55.45,.86,;56.78,.08,;54.11,.1,)| Show InChI InChI=1S/C30H32F3N3O3/c31-24-15-18(16-25(32)28(24)33)5-10-27(37)36-13-11-20(12-14-36)29(30(38)39)35-21-8-6-19(7-9-21)23-17-34-26-4-2-1-3-22(23)26/h1-5,10,15-17,19-21,29,34-35H,6-9,11-14H2,(H,38,39)/b10-5+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	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