BDBM50072045 CHEMBL92930::{(S)-1-[((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-methyl]-2-oxo-azepan-3-yl}-carbamic acid benzyl ester

SMILES: OC1OC(=O)C[C@@H]1NC(=O)CN1CCCC[C@H](NC(=O)OCc2ccccc2)C1=O

InChI Key: InChIKey=XQIVIUQUULFOSU-YIYRCGFGSA-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 = 50072045   

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 (Mus musculus)	BDBM50072045 (CHEMBL92930 | {(S)-1-[((S)-2-Hydroxy-5-oxo-tetrahy...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCCC[C@H](NC(=O)OCc2ccccc2)C1=O Show InChI InChI=1S/C20H25N3O7/c24-16(21-15-10-17(25)30-19(15)27)11-23-9-5-4-8-14(18(23)26)22-20(28)29-12-13-6-2-1-3-7-13/h1-3,6-7,14-15,19,27H,4-5,8-12H2,(H,21,24)(H,22,28)/t14-,15-,19?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrate				Bioorg Med Chem Lett 8: 2757-62 (1999) BindingDB Entry DOI: 10.7270/Q2KP8198
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50072045 (CHEMBL92930 | {(S)-1-[((S)-2-Hydroxy-5-oxo-tetrahy...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCCC[C@H](NC(=O)OCc2ccccc2)C1=O Show InChI InChI=1S/C20H25N3O7/c24-16(21-15-10-17(25)30-19(15)27)11-23-9-5-4-8-14(18(23)26)22-20(28)29-12-13-6-2-1-3-7-13/h1-3,6-7,14-15,19,27H,4-5,8-12H2,(H,21,24)(H,22,28)/t14-,15-,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human Caspase-3 using Ac-AspGluValAsp as substrate				Bioorg Med Chem Lett 8: 2757-62 (1999) BindingDB Entry DOI: 10.7270/Q2KP8198
					More data for this Ligand-Target Pair