BDBM50359127 CHEMBL1922789

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

InChI Key: InChIKey=PDJAYZAJEHUMDM-BJMVGYQFSA-N

Data: 2 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 2 hits for monomerid = 50359127   

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))	BDBM50359127 (CHEMBL1922789) Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(36.32,-23.17,;37.65,-23.94,;38.99,-23.18,;37.65,-25.48,;36.31,-26.25,;36.31,-27.79,;34.97,-28.55,;34.97,-30.09,;36.3,-30.86,;37.64,-30.09,;37.64,-28.55,;36.29,-32.4,;35.05,-33.31,;35.53,-34.78,;37.07,-34.77,;38.09,-35.91,;39.6,-35.59,;40.07,-34.11,;39.04,-32.98,;37.54,-33.3,;38.98,-26.26,;38.97,-27.8,;40.29,-28.57,;41.63,-27.81,;41.64,-26.27,;40.31,-25.49,;42.96,-28.59,;42.95,-30.13,;44.3,-27.83,;45.63,-28.61,;46.96,-27.85,;46.97,-26.32,;48.3,-25.55,;48.3,-24.01,;49.64,-26.33,;50.97,-25.57,;49.62,-27.87,;50.95,-28.65,;48.29,-28.63,)| Show InChI InChI=1S/C30H33F3N4O2/c31-24-15-18(16-25(32)28(24)33)5-10-27(38)37-13-11-20(12-14-37)29(30(34)39)36-21-8-6-19(7-9-21)23-17-35-26-4-2-1-3-22(23)26/h1-5,10,15-17,19-21,29,35-36H,6-9,11-14H2,(H2,34,39)/b10-5+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	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
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50359127 (CHEMBL1922789) Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(36.32,-23.17,;37.65,-23.94,;38.99,-23.18,;37.65,-25.48,;36.31,-26.25,;36.31,-27.79,;34.97,-28.55,;34.97,-30.09,;36.3,-30.86,;37.64,-30.09,;37.64,-28.55,;36.29,-32.4,;35.05,-33.31,;35.53,-34.78,;37.07,-34.77,;38.09,-35.91,;39.6,-35.59,;40.07,-34.11,;39.04,-32.98,;37.54,-33.3,;38.98,-26.26,;38.97,-27.8,;40.29,-28.57,;41.63,-27.81,;41.64,-26.27,;40.31,-25.49,;42.96,-28.59,;42.95,-30.13,;44.3,-27.83,;45.63,-28.61,;46.96,-27.85,;46.97,-26.32,;48.3,-25.55,;48.3,-24.01,;49.64,-26.33,;50.97,-25.57,;49.62,-27.87,;50.95,-28.65,;48.29,-28.63,)| Show InChI InChI=1S/C30H33F3N4O2/c31-24-15-18(16-25(32)28(24)33)5-10-27(38)37-13-11-20(12-14-37)29(30(34)39)36-21-8-6-19(7-9-21)23-17-35-26-4-2-1-3-22(23)26/h1-5,10,15-17,19-21,29,35-36H,6-9,11-14H2,(H2,34,39)/b10-5+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica NV US Patent					Assay Description MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,...				US Patent US8921559 (2014) BindingDB Entry DOI: 10.7270/Q270804M
					More data for this Ligand-Target Pair