BDBM10222 4-chlorophenyl 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazole-4-carboxylate::BI-9C4::Burnham Institute Compound 8

SMILES: Clc1ccc(OC(=O)c2csc(n2)C2COc3ccccc3O2)cc1

InChI Key: InChIKey=MVKZURMOBYUBHT-UHFFFAOYSA-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 = 10222   

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))	BDBM10222 (4-chlorophenyl 2-(2,3-dihydro-1,4-benzodioxin-2-yl...) Show SMILES Clc1ccc(OC(=O)c2csc(n2)C2COc3ccccc3O2)cc1 Show InChI InChI=1S/C18H12ClNO4S/c19-11-5-7-12(8-6-11)23-18(21)13-10-25-17(20-13)16-9-22-14-3-1-2-4-15(14)24-16/h1-8,10,16H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+4	n/a	n/a	n/a	n/a	7.5	22
Burnham Institute					Assay Description Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...				J Med Chem 48: 1649-56 (2005) Article DOI: 10.1021/jm0493212 BindingDB Entry DOI: 10.7270/Q2GT5KDJ
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM10222 (4-chlorophenyl 2-(2,3-dihydro-1,4-benzodioxin-2-yl...) Show SMILES Clc1ccc(OC(=O)c2csc(n2)C2COc3ccccc3O2)cc1 Show InChI InChI=1S/C18H12ClNO4S/c19-11-5-7-12(8-6-11)23-18(21)13-10-25-17(20-13)16-9-22-14-3-1-2-4-15(14)24-16/h1-8,10,16H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute					Assay Description Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...				J Med Chem 48: 1649-56 (2005) Article DOI: 10.1021/jm0493212 BindingDB Entry DOI: 10.7270/Q2GT5KDJ
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM10222 (4-chlorophenyl 2-(2,3-dihydro-1,4-benzodioxin-2-yl...) Show SMILES Clc1ccc(OC(=O)c2csc(n2)C2COc3ccccc3O2)cc1 Show InChI InChI=1S/C18H12ClNO4S/c19-11-5-7-12(8-6-11)23-18(21)13-10-25-17(20-13)16-9-22-14-3-1-2-4-15(14)24-16/h1-8,10,16H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute					Assay Description Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...				J Med Chem 48: 1649-56 (2005) Article DOI: 10.1021/jm0493212 BindingDB Entry DOI: 10.7270/Q2GT5KDJ
					More data for this Ligand-Target Pair