BDBM50257422 (S)-3,5-Bis-trifluoromethylbenzyl-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL493127

SMILES: COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)C(=O)c2c1

InChI Key: InChIKey=QIZVTMONNDOOLR-INIZCTEOSA-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 = 50257422   

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
Caspase-7 (Homo sapiens (Human))	BDBM50257422 ((S)-3,5-Bis-trifluoromethylbenzyl-5-[1-(2-methoxym...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C23H20F6N2O5S/c1-36-12-16-3-2-6-31(16)37(34,35)17-4-5-19-18(10-17)20(32)21(33)30(19)11-13-7-14(22(24,25)26)9-15(8-13)23(27,28)29/h4-5,7-10,16H,2-3,6,11-12H2,1H3/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 7				Bioorg Med Chem 17: 2680-8 (2009) Article DOI: 10.1016/j.bmc.2009.02.048 BindingDB Entry DOI: 10.7270/Q25Q4W0P
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50257422 ((S)-3,5-Bis-trifluoromethylbenzyl-5-[1-(2-methoxym...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C23H20F6N2O5S/c1-36-12-16-3-2-6-31(16)37(34,35)17-4-5-19-18(10-17)20(32)21(33)30(19)11-13-7-14(22(24,25)26)9-15(8-13)23(27,28)29/h4-5,7-10,16H,2-3,6,11-12H2,1H3/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 3				Bioorg Med Chem 17: 2680-8 (2009) Article DOI: 10.1016/j.bmc.2009.02.048 BindingDB Entry DOI: 10.7270/Q25Q4W0P
					More data for this Ligand-Target Pair