BDBM50268368 CHEMBL496630::N-(2-((1S,2R,4R)-4-(methylamino)-2-((4-(methylthio)phenylsulfonyl)methyl)cyclohexylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide

SMILES: CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1

InChI Key: InChIKey=PIIMSMCFNBYVDH-KPLVRAHFSA-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 = 50268368   

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))	BDBM50268368 (CHEMBL496630 | N-(2-((1S,2R,4R)-4-(methylamino)-2-...) Show SMILES CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 |r| Show InChI InChI=1S/C25H30F3N3O4S2/c1-29-19-6-11-22(17(13-19)15-37(34,35)21-9-7-20(36-2)8-10-21)31-23(32)14-30-24(33)16-4-3-5-18(12-16)25(26,27)28/h3-5,7-10,12,17,19,22,29H,6,11,13-15H2,1-2H3,(H,30,33)(H,31,32)/t17-,19+,22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	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 PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate reader assay				Bioorg Med Chem Lett 19: 3418-22 (2009) Article DOI: 10.1016/j.bmcl.2009.05.041 BindingDB Entry DOI: 10.7270/Q27W6C3X
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50268368 (CHEMBL496630 | N-(2-((1S,2R,4R)-4-(methylamino)-2-...) Show SMILES CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 |r| Show InChI InChI=1S/C25H30F3N3O4S2/c1-29-19-6-11-22(17(13-19)15-37(34,35)21-9-7-20(36-2)8-10-21)31-23(32)14-30-24(33)16-4-3-5-18(12-16)25(26,27)28/h3-5,7-10,12,17,19,22,29H,6,11,13-15H2,1-2H3,(H,30,33)(H,31,32)/t17-,19+,22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	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 PBMC by millipore filter plate assay				Bioorg Med Chem Lett 19: 3418-22 (2009) Article DOI: 10.1016/j.bmcl.2009.05.041 BindingDB Entry DOI: 10.7270/Q27W6C3X
					More data for this Ligand-Target Pair