BDBM50171127 CHEMBL196571::Naphthalene-2-carboxylic acid [(S)-1-[((S)-2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-methyl]-5-(morpholine-4-carbonyl)-2-oxo-[1,5]diazocan-3-yl]-amide

SMILES: OC1OC(=O)C[C@@H]1NC(=O)CN1CCCN(C[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N1CCOCC1

InChI Key: InChIKey=AIRXCRBTHKHYBD-BTOHDXCHSA-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 = 50171127   

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))	BDBM50171127 (CHEMBL196571 | Naphthalene-2-carboxylic acid [(S)-...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCCN(C[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N1CCOCC1 Show InChI InChI=1S/C28H33N5O8/c34-23(29-21-15-24(35)41-27(21)38)17-32-8-3-9-33(28(39)31-10-12-40-13-11-31)16-22(26(32)37)30-25(36)20-7-6-18-4-1-2-5-19(18)14-20/h1-2,4-7,14,21-22,27,38H,3,8-13,15-17H2,(H,29,34)(H,30,36)/t21-,22-,27?/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
Caspase-1 (Homo sapiens (Human))	BDBM50171127 (CHEMBL196571 | Naphthalene-2-carboxylic acid [(S)-...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCCN(C[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N1CCOCC1 Show InChI InChI=1S/C28H33N5O8/c34-23(29-21-15-24(35)41-27(21)38)17-32-8-3-9-33(28(39)31-10-12-40-13-11-31)16-22(26(32)37)30-25(36)20-7-6-18-4-1-2-5-19(18)14-20/h1-2,4-7,14,21-22,27,38H,3,8-13,15-17H2,(H,29,34)(H,30,36)/t21-,22-,27?/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	44	n/a	n/a	n/a	n/a	n/a	n/a
Procter& Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-1 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-8 (Homo sapiens (Human))	BDBM50171127 (CHEMBL196571 | Naphthalene-2-carboxylic acid [(S)-...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCCN(C[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N1CCOCC1 Show InChI InChI=1S/C28H33N5O8/c34-23(29-21-15-24(35)41-27(21)38)17-32-8-3-9-33(28(39)31-10-12-40-13-11-31)16-22(26(32)37)30-25(36)20-7-6-18-4-1-2-5-19(18)14-20/h1-2,4-7,14,21-22,27,38H,3,8-13,15-17H2,(H,29,34)(H,30,36)/t21-,22-,27?/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