BDBM50268364 CHEMBL447937::N-(2-(2-((1S,2R)-2-((4-(methylthio)phenylsulfonyl)methyl)cyclohexylamino)-2-oxoethylcarbamoyl)-4-(trifluoromethyl)phenyl)pyrrolidine-1-carboxamide

SMILES: CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCCC1)C(F)(F)F

InChI Key: InChIKey=MTDYVNQACUIUTG-CYFREDJKSA-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 = 50268364   

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))	BDBM50268364 (CHEMBL447937 | N-(2-(2-((1S,2R)-2-((4-(methylthio)...) Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCCC1)C(F)(F)F |r| Show InChI InChI=1S/C29H35F3N4O5S2/c1-42-21-9-11-22(12-10-21)43(40,41)18-19-6-2-3-7-24(19)34-26(37)17-33-27(38)23-16-20(29(30,31)32)8-13-25(23)35-28(39)36-14-4-5-15-36/h8-13,16,19,24H,2-7,14-15,17-18H2,1H3,(H,33,38)(H,34,37)(H,35,39)/t19-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	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 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
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50268364 (CHEMBL447937 | N-(2-(2-((1S,2R)-2-((4-(methylthio)...) Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCCC1)C(F)(F)F |r| Show InChI InChI=1S/C29H35F3N4O5S2/c1-42-21-9-11-22(12-10-21)43(40,41)18-19-6-2-3-7-24(19)34-26(37)17-33-27(38)23-16-20(29(30,31)32)8-13-25(23)35-28(39)36-14-4-5-15-36/h8-13,16,19,24H,2-7,14-15,17-18H2,1H3,(H,33,38)(H,34,37)(H,35,39)/t19-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.8	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))	BDBM50268364 (CHEMBL447937 | N-(2-(2-((1S,2R)-2-((4-(methylthio)...) Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCCC1)C(F)(F)F |r| Show InChI InChI=1S/C29H35F3N4O5S2/c1-42-21-9-11-22(12-10-21)43(40,41)18-19-6-2-3-7-24(19)34-26(37)17-33-27(38)23-16-20(29(30,31)32)8-13-25(23)35-28(39)36-14-4-5-15-36/h8-13,16,19,24H,2-7,14-15,17-18H2,1H3,(H,33,38)(H,34,37)(H,35,39)/t19-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	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