BDBM50255737 (+/-)-2-amino-N-(2-(4-amino-2-(4-(methylthio)benzamido)cyclohexylamino)-2-oxoethyl)-5-(trifluoromethyl)benzamide::CHEMBL481009

SMILES: CSc1ccc(cc1)C(=O)NC1CC(N)CCC1NC(=O)CNC(=O)c1cc(ccc1N)C(F)(F)F

InChI Key: InChIKey=MRHMWFQAZDBYRN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50255737   

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))	BDBM50255737 ((+/-)-2-amino-N-(2-(4-amino-2-(4-(methylthio)benza...) Show SMILES CSc1ccc(cc1)C(=O)NC1CC(N)CCC1NC(=O)CNC(=O)c1cc(ccc1N)C(F)(F)F Show InChI InChI=1S/C24H28F3N5O3S/c1-36-16-6-2-13(3-7-16)22(34)32-20-11-15(28)5-9-19(20)31-21(33)12-30-23(35)17-10-14(24(25,26)27)4-8-18(17)29/h2-4,6-8,10,15,19-20H,5,9,11-12,28-29H2,1H3,(H,30,35)(H,31,33)(H,32,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in human monocytes assessed as inhibition of MCP1-induced calcium influx by FLIPR				Bioorg Med Chem Lett 19: 597-601 (2009) Article DOI: 10.1016/j.bmcl.2008.12.062 BindingDB Entry DOI: 10.7270/Q2QF8SR1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255737 ((+/-)-2-amino-N-(2-(4-amino-2-(4-(methylthio)benza...) Show SMILES CSc1ccc(cc1)C(=O)NC1CC(N)CCC1NC(=O)CNC(=O)c1cc(ccc1N)C(F)(F)F Show InChI InChI=1S/C24H28F3N5O3S/c1-36-16-6-2-13(3-7-16)22(34)32-20-11-15(28)5-9-19(20)31-21(33)12-30-23(35)17-10-14(24(25,26)27)4-8-18(17)29/h2-4,6-8,10,15,19-20H,5,9,11-12,28-29H2,1H3,(H,30,35)(H,31,33)(H,32,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in human PBMCs assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 19: 597-601 (2009) Article DOI: 10.1016/j.bmcl.2008.12.062 BindingDB Entry DOI: 10.7270/Q2QF8SR1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255737 ((+/-)-2-amino-N-(2-(4-amino-2-(4-(methylthio)benza...) Show SMILES CSc1ccc(cc1)C(=O)NC1CC(N)CCC1NC(=O)CNC(=O)c1cc(ccc1N)C(F)(F)F Show InChI InChI=1S/C24H28F3N5O3S/c1-36-16-6-2-13(3-7-16)22(34)32-20-11-15(28)5-9-19(20)31-21(33)12-30-23(35)17-10-14(24(25,26)27)4-8-18(17)29/h2-4,6-8,10,15,19-20H,5,9,11-12,28-29H2,1H3,(H,30,35)(H,31,33)(H,32,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from CCR2 in human PBMCs				Bioorg Med Chem Lett 19: 597-601 (2009) Article DOI: 10.1016/j.bmcl.2008.12.062 BindingDB Entry DOI: 10.7270/Q2QF8SR1
					More data for this Ligand-Target Pair