BDBM50268374 CHEMBL500175::tert-butyl 2-(2-((1S,2R,4R)-4-(isopropyl(methyl)amino)-2-((4-(methylthio)phenylsulfonyl)methyl)cyclohexylamino)-2-oxoethylcarbamoyl)-4-(trifluoromethyl)phenylcarbamate

SMILES: CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)OC(C)(C)C)C(F)(F)F)N(C)C(C)C

InChI Key: InChIKey=PIYAMSIJZQDTMB-AIUHUKMKSA-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 = 50268374   

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))	BDBM50268374 (CHEMBL500175 | tert-butyl 2-(2-((1S,2R,4R)-4-(isop...) Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)OC(C)(C)C)C(F)(F)F)N(C)C(C)C |r| Show InChI InChI=1S/C33H45F3N4O6S2/c1-20(2)40(6)23-9-15-27(21(16-23)19-48(44,45)25-12-10-24(47-7)11-13-25)38-29(41)18-37-30(42)26-17-22(33(34,35)36)8-14-28(26)39-31(43)46-32(3,4)5/h8,10-14,17,20-21,23,27H,9,15-16,18-19H2,1-7H3,(H,37,42)(H,38,41)(H,39,43)/t21-,23+,27-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	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 chemotaxis				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))	BDBM50268374 (CHEMBL500175 | tert-butyl 2-(2-((1S,2R,4R)-4-(isop...) Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)OC(C)(C)C)C(F)(F)F)N(C)C(C)C |r| Show InChI InChI=1S/C33H45F3N4O6S2/c1-20(2)40(6)23-9-15-27(21(16-23)19-48(44,45)25-12-10-24(47-7)11-13-25)38-29(41)18-37-30(42)26-17-22(33(34,35)36)8-14-28(26)39-31(43)46-32(3,4)5/h8,10-14,17,20-21,23,27H,9,15-16,18-19H2,1-7H3,(H,37,42)(H,38,41)(H,39,43)/t21-,23+,27-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.5	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