BDBM50359135 CHEMBL1922819

SMILES: NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=STFZXNFAUSAZFQ-VGOFMYFVSA-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 = 50359135   

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))	BDBM50359135 (CHEMBL1922819) Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1ccc(OC(F)(F)F)cc1 |(42.37,-22.98,;43.7,-23.75,;45.04,-22.98,;43.7,-25.29,;42.36,-26.06,;42.36,-27.6,;41.02,-28.36,;41.02,-29.89,;42.35,-30.67,;43.69,-29.9,;43.69,-28.36,;42.34,-32.21,;41.1,-33.12,;41.58,-34.58,;43.12,-34.57,;44.14,-35.71,;45.65,-35.39,;46.12,-33.92,;45.09,-32.79,;43.59,-33.11,;45.03,-26.06,;45.02,-27.61,;46.34,-28.38,;47.68,-27.62,;47.69,-26.08,;46.36,-25.3,;49.01,-28.4,;49,-29.94,;50.35,-27.64,;51.68,-28.42,;53.02,-27.66,;54.34,-28.44,;55.68,-27.68,;55.69,-26.14,;57.02,-25.37,;58.35,-26.15,;59.69,-25.39,;58.35,-27.69,;59.68,-26.92,;54.35,-25.36,;53.02,-26.12,)| Show InChI InChI=1S/C31H35F3N4O3/c32-31(33,34)41-24-12-5-20(6-13-24)7-14-28(39)38-17-15-22(16-18-38)29(30(35)40)37-23-10-8-21(9-11-23)26-19-36-27-4-2-1-3-25(26)27/h1-7,12-14,19,21-23,29,36-37H,8-11,15-18H2,(H2,35,40)/b14-7+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	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))	BDBM50359135 (CHEMBL1922819) Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1ccc(OC(F)(F)F)cc1 |(42.37,-22.98,;43.7,-23.75,;45.04,-22.98,;43.7,-25.29,;42.36,-26.06,;42.36,-27.6,;41.02,-28.36,;41.02,-29.89,;42.35,-30.67,;43.69,-29.9,;43.69,-28.36,;42.34,-32.21,;41.1,-33.12,;41.58,-34.58,;43.12,-34.57,;44.14,-35.71,;45.65,-35.39,;46.12,-33.92,;45.09,-32.79,;43.59,-33.11,;45.03,-26.06,;45.02,-27.61,;46.34,-28.38,;47.68,-27.62,;47.69,-26.08,;46.36,-25.3,;49.01,-28.4,;49,-29.94,;50.35,-27.64,;51.68,-28.42,;53.02,-27.66,;54.34,-28.44,;55.68,-27.68,;55.69,-26.14,;57.02,-25.37,;58.35,-26.15,;59.69,-25.39,;58.35,-27.69,;59.68,-26.92,;54.35,-25.36,;53.02,-26.12,)| Show InChI InChI=1S/C31H35F3N4O3/c32-31(33,34)41-24-12-5-20(6-13-24)7-14-28(39)38-17-15-22(16-18-38)29(30(35)40)37-23-10-8-21(9-11-23)26-19-36-27-4-2-1-3-25(26)27/h1-7,12-14,19,21-23,29,36-37H,8-11,15-18H2,(H2,35,40)/b14-7+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	492	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