BDBM50139692 3-Benzyloxycarbonylamino-5-methanesulfonylamino-4-oxo-pentanoic acid::CHEMBL167666

SMILES: CS(=O)(=O)NCC(=O)C(CC(O)=O)NC(=O)OCc1ccccc1

InChI Key: InChIKey=HXJVVEVHONIBKJ-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50139692   

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 (Homo sapiens (Human))	BDBM50139692 (3-Benzyloxycarbonylamino-5-methanesulfonylamino-4-...) Show SMILES CS(=O)(=O)NCC(=O)C(CC(O)=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C14H18N2O7S/c1-24(21,22)15-8-12(17)11(7-13(18)19)16-14(20)23-9-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3,(H,16,20)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.35E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against caspase-1				Bioorg Med Chem Lett 14: 809-12 (2004) BindingDB Entry DOI: 10.7270/Q2FB52CR
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50139692 (3-Benzyloxycarbonylamino-5-methanesulfonylamino-4-...) Show SMILES CS(=O)(=O)NCC(=O)C(CC(O)=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C14H18N2O7S/c1-24(21,22)15-8-12(17)11(7-13(18)19)16-14(20)23-9-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3,(H,16,20)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.83E+6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against caspase-1				Bioorg Med Chem Lett 14: 809-12 (2004) BindingDB Entry DOI: 10.7270/Q2FB52CR
					More data for this Ligand-Target Pair