BDBM50189373 CHEMBL212809::N'-(1-(((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-yl)carbamoyl)cyclopropanecarbonyl)-2-naphthohydrazide

SMILES: OC1OC(=O)C[C@@H]1NC(=O)C1(CC1)C(=O)NNC(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=SCTGHADBUZBWKS-MBIQTGHCSA-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 = 50189373   

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))	BDBM50189373 (CHEMBL212809 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CC1)C(=O)NNC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H19N3O6/c24-15-10-14(17(26)29-15)21-18(27)20(7-8-20)19(28)23-22-16(25)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14,17,26H,7-8,10H2,(H,21,27)(H,22,25)(H,23,28)/t14-,17?/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 Curated by ChEMBL					Assay Description Inhibition of caspase3				Bioorg Med Chem Lett 16: 4233-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.076 BindingDB Entry DOI: 10.7270/Q20001RW
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50189373 (CHEMBL212809 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CC1)C(=O)NNC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H19N3O6/c24-15-10-14(17(26)29-15)21-18(27)20(7-8-20)19(28)23-22-16(25)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14,17,26H,7-8,10H2,(H,21,27)(H,22,25)(H,23,28)/t14-,17?/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	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem Lett 16: 4233-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.076 BindingDB Entry DOI: 10.7270/Q20001RW
					More data for this Ligand-Target Pair