BDBM50359125 CHEMBL1922791

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

InChI Key: InChIKey=FXQFHLWYGIPPLB-KPKJPENVSA-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 = 50359125   

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))	BDBM50359125 (CHEMBL1922791) Show SMILES CN(C)C(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(14.23,-36.62,;14.22,-38.16,;12.89,-38.92,;15.56,-38.93,;16.89,-38.17,;15.55,-40.47,;14.22,-41.24,;14.22,-42.78,;12.88,-43.54,;12.87,-45.07,;14.2,-45.85,;15.54,-45.08,;15.55,-43.54,;14.2,-47.39,;12.95,-48.3,;13.43,-49.76,;14.97,-49.75,;16,-50.89,;17.5,-50.57,;17.97,-49.1,;16.94,-47.97,;15.45,-48.29,;16.88,-41.25,;16.87,-42.79,;18.19,-43.56,;19.53,-42.8,;19.54,-41.26,;18.21,-40.48,;20.86,-43.58,;20.85,-45.12,;22.2,-42.82,;23.53,-43.6,;24.87,-42.84,;24.87,-41.31,;26.2,-40.54,;26.21,-39,;27.54,-41.32,;28.88,-40.56,;27.53,-42.86,;28.86,-43.64,;26.19,-43.62,)| Show InChI InChI=1S/C32H37F3N4O2/c1-38(2)32(41)31(37-23-10-8-21(9-11-23)25-19-36-28-6-4-3-5-24(25)28)22-13-15-39(16-14-22)29(40)12-7-20-17-26(33)30(35)27(34)18-20/h3-7,12,17-19,21-23,31,36-37H,8-11,13-16H2,1-2H3/b12-7+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	980	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))	BDBM50359125 (CHEMBL1922791) Show SMILES CN(C)C(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(14.23,-36.62,;14.22,-38.16,;12.89,-38.92,;15.56,-38.93,;16.89,-38.17,;15.55,-40.47,;14.22,-41.24,;14.22,-42.78,;12.88,-43.54,;12.87,-45.07,;14.2,-45.85,;15.54,-45.08,;15.55,-43.54,;14.2,-47.39,;12.95,-48.3,;13.43,-49.76,;14.97,-49.75,;16,-50.89,;17.5,-50.57,;17.97,-49.1,;16.94,-47.97,;15.45,-48.29,;16.88,-41.25,;16.87,-42.79,;18.19,-43.56,;19.53,-42.8,;19.54,-41.26,;18.21,-40.48,;20.86,-43.58,;20.85,-45.12,;22.2,-42.82,;23.53,-43.6,;24.87,-42.84,;24.87,-41.31,;26.2,-40.54,;26.21,-39,;27.54,-41.32,;28.88,-40.56,;27.53,-42.86,;28.86,-43.64,;26.19,-43.62,)| Show InChI InChI=1S/C32H37F3N4O2/c1-38(2)32(41)31(37-23-10-8-21(9-11-23)25-19-36-28-6-4-3-5-24(25)28)22-13-15-39(16-14-22)29(40)12-7-20-17-26(33)30(35)27(34)18-20/h3-7,12,17-19,21-23,31,36-37H,8-11,13-16H2,1-2H3/b12-7+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	981	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