BDBM50315989 3-fluoro-N-((S)-1-((1S,2R,4R)-4-(isopropyl(methyl)amino)-2-(phenylsulfonylmethyl)cyclohexyl)-2-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide::CHEMBL1092941

SMILES: CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cc(F)cc(c2)C(F)(F)F)C1=O

InChI Key: InChIKey=VFEUENDJIZXPKO-KIKDMBQDSA-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 = 50315989   

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))	BDBM50315989 (3-fluoro-N-((S)-1-((1S,2R,4R)-4-(isopropyl(methyl)...) Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cc(F)cc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C29H35F4N3O4S/c1-18(2)35(3)23-9-10-26(20(15-23)17-41(39,40)24-7-5-4-6-8-24)36-12-11-25(28(36)38)34-27(37)19-13-21(29(31,32)33)16-22(30)14-19/h4-8,13-14,16,18,20,23,25-26H,9-12,15,17H2,1-3H3,(H,34,37)/t20-,23+,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	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 THP1 cells after 30 mins				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50315989 (3-fluoro-N-((S)-1-((1S,2R,4R)-4-(isopropyl(methyl)...) Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cc(F)cc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C29H35F4N3O4S/c1-18(2)35(3)23-9-10-26(20(15-23)17-41(39,40)24-7-5-4-6-8-24)36-12-11-25(28(36)38)34-27(37)19-13-21(29(31,32)33)16-22(30)14-19/h4-8,13-14,16,18,20,23,25-26H,9-12,15,17H2,1-3H3,(H,34,37)/t20-,23+,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human ERG by FLIPR assay				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair