BDBM50257298 (S)-1-(4-Hydroxybutyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL522148

SMILES: COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCO)C(=O)C(=O)c2c1

InChI Key: InChIKey=SIHWSNWMVORLAP-ZDUSSCGKSA-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 = 50257298   

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))	BDBM50257298 ((S)-1-(4-Hydroxybutyl)-5-[1-(2-methoxymethylpyrrol...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCO)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C18H24N2O6S/c1-26-12-13-5-4-9-20(13)27(24,25)14-6-7-16-15(11-14)17(22)18(23)19(16)8-2-3-10-21/h6-7,11,13,21H,2-5,8-10,12H2,1H3/t13-/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	11	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))	BDBM50257298 ((S)-1-(4-Hydroxybutyl)-5-[1-(2-methoxymethylpyrrol...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCO)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C18H24N2O6S/c1-26-12-13-5-4-9-20(13)27(24,25)14-6-7-16-15(11-14)17(22)18(23)19(16)8-2-3-10-21/h6-7,11,13,21H,2-5,8-10,12H2,1H3/t13-/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	30	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