BDBM50199763 CHEMBL397184::N-((S,Z)-6-(benzamidomethyl)-1-(2-((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-ylamino)-2-oxoethyl)-2-oxo-2,3,4,7-tetrahydro-1H-azepin-3-yl)-2-naphthamide

SMILES: OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CNC(=O)c2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O

InChI Key: InChIKey=DXEWLXOQDLTJTP-PIMKWFGFSA-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 = 50199763   

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-1 (Homo sapiens (Human))	BDBM50199763 (CHEMBL397184 | N-((S,Z)-6-(benzamidomethyl)-1-(2-(...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CNC(=O)c2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:25| Show InChI InChI=1S/C31H30N4O7/c36-26(33-25-15-27(37)42-31(25)41)18-35-17-19(16-32-28(38)21-7-2-1-3-8-21)10-13-24(30(35)40)34-29(39)23-12-11-20-6-4-5-9-22(20)14-23/h1-12,14,24-25,31,41H,13,15-18H2,(H,32,38)(H,33,36)(H,34,39)/t24-,25-,31?/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	2	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50199763 (CHEMBL397184 | N-((S,Z)-6-(benzamidomethyl)-1-(2-(...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CNC(=O)c2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:25| Show InChI InChI=1S/C31H30N4O7/c36-26(33-25-15-27(37)42-31(25)41)18-35-17-19(16-32-28(38)21-7-2-1-3-8-21)10-13-24(30(35)40)34-29(39)23-12-11-20-6-4-5-9-22(20)14-23/h1-12,14,24-25,31,41H,13,15-18H2,(H,32,38)(H,33,36)(H,34,39)/t24-,25-,31?/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	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 8				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50199763 (CHEMBL397184 | N-((S,Z)-6-(benzamidomethyl)-1-(2-(...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CNC(=O)c2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:25| Show InChI InChI=1S/C31H30N4O7/c36-26(33-25-15-27(37)42-31(25)41)18-35-17-19(16-32-28(38)21-7-2-1-3-8-21)10-13-24(30(35)40)34-29(39)23-12-11-20-6-4-5-9-22(20)14-23/h1-12,14,24-25,31,41H,13,15-18H2,(H,32,38)(H,33,36)(H,34,39)/t24-,25-,31?/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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 3				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair