BDBM50171128 CHEMBL370792::Naphthalene-2-carboxylic acid [(S)-1-[((S)-2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-methyl]-5-(3-methoxy-benzoyl)-2-oxo-[1,5]diazocan-3-yl]-amide

SMILES: COc1cccc(c1)C(=O)N1CCCN(CC(=O)N[C@H]2CC(=O)OC2O)C(=O)[C@H](C1)NC(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=QRXOMHAALWFFRV-PIMKWFGFSA-N

Data: 2 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 = 50171128   

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))	BDBM50171128 (CHEMBL370792 | Naphthalene-2-carboxylic acid [(S)-...) Show SMILES COc1cccc(c1)C(=O)N1CCCN(CC(=O)N[C@H]2CC(=O)OC2O)C(=O)[C@H](C1)NC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C31H32N4O8/c1-42-23-9-4-8-22(15-23)29(39)34-12-5-13-35(18-26(36)32-24-16-27(37)43-31(24)41)30(40)25(17-34)33-28(38)21-11-10-19-6-2-3-7-20(19)14-21/h2-4,6-11,14-15,24-25,31,41H,5,12-13,16-18H2,1H3,(H,32,36)(H,33,38)/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	>1.00E+4	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 using fluorogenic substrate and BMG Fluostar plate reader for 30 min at 37 degree C				Bioorg Med Chem Lett 15: 4291-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.050 BindingDB Entry DOI: 10.7270/Q2J103ZQ
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50171128 (CHEMBL370792 | Naphthalene-2-carboxylic acid [(S)-...) Show SMILES COc1cccc(c1)C(=O)N1CCCN(CC(=O)N[C@H]2CC(=O)OC2O)C(=O)[C@H](C1)NC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C31H32N4O8/c1-42-23-9-4-8-22(15-23)29(39)34-12-5-13-35(18-26(36)32-24-16-27(37)43-31(24)41)30(40)25(17-34)33-28(38)21-11-10-19-6-2-3-7-20(19)14-21/h2-4,6-11,14-15,24-25,31,41H,5,12-13,16-18H2,1H3,(H,32,36)(H,33,38)/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	>1.00E+4	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 using fluorogenic substrate and BMG Fluostar plate reader for 30 min at 37 degree C				Bioorg Med Chem Lett 15: 4291-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.050 BindingDB Entry DOI: 10.7270/Q2J103ZQ
					More data for this Ligand-Target Pair