BDBM50072048 CHEMBL92017::[(3R,6S,8aS)-3-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-5-oxo-hexahydro-thiazolo[3,2-a]pyridin-6-yl]-carbamic acid benzyl ester

SMILES: OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CS[C@H]2CC[C@H](NC(=O)OCc3ccccc3)C(=O)N12

InChI Key: InChIKey=KCKKYVCCPKNMCO-KTWYETFXSA-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 = 50072048   

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))	BDBM50072048 (CHEMBL92017 | [(3R,6S,8aS)-3-((S)-2-Hydroxy-5-oxo-...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CS[C@H]2CC[C@H](NC(=O)OCc3ccccc3)C(=O)N12 Show InChI InChI=1S/C20H23N3O7S/c24-16-8-13(19(27)30-16)21-17(25)14-10-31-15-7-6-12(18(26)23(14)15)22-20(28)29-9-11-4-2-1-3-5-11/h1-5,12-15,19,27H,6-10H2,(H,21,25)(H,22,28)/t12-,13-,14-,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	8.60E+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
Caspase-1 (Mus musculus)	BDBM50072048 (CHEMBL92017 | [(3R,6S,8aS)-3-((S)-2-Hydroxy-5-oxo-...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CS[C@H]2CC[C@H](NC(=O)OCc3ccccc3)C(=O)N12 Show InChI InChI=1S/C20H23N3O7S/c24-16-8-13(19(27)30-16)21-17(25)14-10-31-15-7-6-12(18(26)23(14)15)22-20(28)29-9-11-4-2-1-3-5-11/h1-5,12-15,19,27H,6-10H2,(H,21,25)(H,22,28)/t12-,13-,14-,15-,19?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80E+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