BDBM50199766 CHEMBL394351::N-((S,Z)-1-((S)-1-((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-ylamino)-1-oxopropan-2-yl)-2-oxo-2,3,4,7-tetrahydro-1H-azepin-3-yl)-2-naphthamide

SMILES: C[C@H](N1CC=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N[C@H]1CC(=O)OC1O

InChI Key: InChIKey=CBORVVSGKICHTH-PKTPTRIFSA-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 = 50199766   

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-8 (Homo sapiens (Human))	BDBM50199766 (CHEMBL394351 | N-((S,Z)-1-((S)-1-((3S)-2-hydroxy-5...) Show SMILES C[C@H](N1CC=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N[C@H]1CC(=O)OC1O |w:31.35,c:4| Show InChI InChI=1S/C24H25N3O6/c1-14(21(29)26-19-13-20(28)33-24(19)32)27-11-5-4-8-18(23(27)31)25-22(30)17-10-9-15-6-2-3-7-16(15)12-17/h2-7,9-10,12,14,18-19,24,32H,8,11,13H2,1H3,(H,25,30)(H,26,29)/t14-,18-,19-,24?/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	162	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-1 (Homo sapiens (Human))	BDBM50199766 (CHEMBL394351 | N-((S,Z)-1-((S)-1-((3S)-2-hydroxy-5...) Show SMILES C[C@H](N1CC=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N[C@H]1CC(=O)OC1O |w:31.35,c:4| Show InChI InChI=1S/C24H25N3O6/c1-14(21(29)26-19-13-20(28)33-24(19)32)27-11-5-4-8-18(23(27)31)25-22(30)17-10-9-15-6-2-3-7-16(15)12-17/h2-7,9-10,12,14,18-19,24,32H,8,11,13H2,1H3,(H,25,30)(H,26,29)/t14-,18-,19-,24?/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	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-3 (Homo sapiens (Human))	BDBM50199766 (CHEMBL394351 | N-((S,Z)-1-((S)-1-((3S)-2-hydroxy-5...) Show SMILES C[C@H](N1CC=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N[C@H]1CC(=O)OC1O |w:31.35,c:4| Show InChI InChI=1S/C24H25N3O6/c1-14(21(29)26-19-13-20(28)33-24(19)32)27-11-5-4-8-18(23(27)31)25-22(30)17-10-9-15-6-2-3-7-16(15)12-17/h2-7,9-10,12,14,18-19,24,32H,8,11,13H2,1H3,(H,25,30)(H,26,29)/t14-,18-,19-,24?/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	7.51E+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