BDBM50431515 CHEMBL2348691

SMILES: COCC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1

InChI Key: InChIKey=YYHQMSJBLNLPNZ-JTQLQIEISA-N

Data: 4 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 4 hits for monomerid = 50431515   

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))	BDBM50431515 (CHEMBL2348691) Show SMILES COCC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C15H18N2O5S/c1-22-8-6-10-3-2-7-17(10)23(20,21)11-4-5-13-12(9-11)14(18)15(19)16-13/h4-5,9-10H,2-3,6-8H2,1H3,(H,16,18,19)/t10-/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	540	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 7 assessed as decrease in AMC release using Ac-Asp-Glu-Val-Asp-AMC as substrate preincubated with enzyme for ...				Bioorg Med Chem 21: 2025-36 (2013) Article DOI: 10.1016/j.bmc.2013.01.011 BindingDB Entry DOI: 10.7270/Q25D8T5H
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM50431515 (CHEMBL2348691) Show SMILES COCC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C15H18N2O5S/c1-22-8-6-10-3-2-7-17(10)23(20,21)11-4-5-13-12(9-11)14(18)15(19)16-13/h4-5,9-10H,2-3,6-8H2,1H3,(H,16,18,19)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 6 assessed as decrease in AMC release using Ac-Val-Glu-Ile-Asp-AMC as substrate preincubated with enzyme for ...				Bioorg Med Chem 21: 2025-36 (2013) Article DOI: 10.1016/j.bmc.2013.01.011 BindingDB Entry DOI: 10.7270/Q25D8T5H
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50431515 (CHEMBL2348691) Show SMILES COCC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C15H18N2O5S/c1-22-8-6-10-3-2-7-17(10)23(20,21)11-4-5-13-12(9-11)14(18)15(19)16-13/h4-5,9-10H,2-3,6-8H2,1H3,(H,16,18,19)/t10-/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	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 1 assessed as decrease in AMC release using Ac-Tyr-Val-Ala-Asp-AMC as substrate preincubated with enzyme for ...				Bioorg Med Chem 21: 2025-36 (2013) Article DOI: 10.1016/j.bmc.2013.01.011 BindingDB Entry DOI: 10.7270/Q25D8T5H
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50431515 (CHEMBL2348691) Show SMILES COCC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C15H18N2O5S/c1-22-8-6-10-3-2-7-17(10)23(20,21)11-4-5-13-12(9-11)14(18)15(19)16-13/h4-5,9-10H,2-3,6-8H2,1H3,(H,16,18,19)/t10-/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	349	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 3 assessed as decrease in AMC release using Ac-Asp-Glu-Val-Asp-AMC as substrate preincubated with enzyme for ...				Bioorg Med Chem 21: 2025-36 (2013) Article DOI: 10.1016/j.bmc.2013.01.011 BindingDB Entry DOI: 10.7270/Q25D8T5H
					More data for this Ligand-Target Pair