BDBM50338500 (S)-1-((1-benzyl-1H-1,2,3-triazol-5-yl)methyl)-5-((2-(methoxymethyl)pyrrolidin-1-yl)sulfonyl)indoline-2,3-dione::CHEMBL1683316

SMILES: COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cnnn3Cc3ccccc3)C(=O)C(=O)c2c1

InChI Key: InChIKey=LTPNBPPPHHCVFP-SFHVURJKSA-N

Data: 1 KI  1 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 = 50338500   

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-3 (Homo sapiens (Human))	BDBM50338500 ((S)-1-((1-benzyl-1H-1,2,3-triazol-5-yl)methyl)-5-(...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cnnn3Cc3ccccc3)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C24H25N5O5S/c1-34-16-18-8-5-11-29(18)35(32,33)20-9-10-22-21(12-20)23(30)24(31)27(22)15-19-13-25-26-28(19)14-17-6-3-2-4-7-17/h2-4,6-7,9-10,12-13,18H,5,8,11,14-16H2,1H3/t18-/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	10.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Inhibition of caspase 3 using Ac-DEVD-AFC fluorogenic substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 21: 1626-9 (2011) Article DOI: 10.1016/j.bmcl.2011.01.110 BindingDB Entry DOI: 10.7270/Q2SJ1MM5
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50338500 ((S)-1-((1-benzyl-1H-1,2,3-triazol-5-yl)methyl)-5-(...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cnnn3Cc3ccccc3)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C24H25N5O5S/c1-34-16-18-8-5-11-29(18)35(32,33)20-9-10-22-21(12-20)23(30)24(31)27(22)15-19-13-25-26-28(19)14-17-6-3-2-4-7-17/h2-4,6-7,9-10,12-13,18H,5,8,11,14-16H2,1H3/t18-/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	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Inhibition of caspase 3 using Ac-DEVD-AFC fluorogenic substrate				Bioorg Med Chem Lett 21: 1626-9 (2011) Article DOI: 10.1016/j.bmcl.2011.01.110 BindingDB Entry DOI: 10.7270/Q2SJ1MM5
					More data for this Ligand-Target Pair