BDBM50189367 CHEMBL213408::N'-(1-(((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-yl)carbamoyl)cyclobutanecarbonyl)-2-methylbenzohydrazide

SMILES: Cc1ccccc1C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O

InChI Key: InChIKey=ZSOPKWJQJKUHFH-SFVWDYPZSA-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 = 50189367   

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))	BDBM50189367 (CHEMBL213408 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...) Show SMILES Cc1ccccc1C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C18H21N3O6/c1-10-5-2-3-6-11(10)14(23)20-21-17(26)18(7-4-8-18)16(25)19-12-9-13(22)27-15(12)24/h2-3,5-6,12,15,24H,4,7-9H2,1H3,(H,19,25)(H,20,23)(H,21,26)/t12-,15?/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	310	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
Caspase-3 (Homo sapiens (Human))	BDBM50189367 (CHEMBL213408 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...) Show SMILES Cc1ccccc1C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C18H21N3O6/c1-10-5-2-3-6-11(10)14(23)20-21-17(26)18(7-4-8-18)16(25)19-12-9-13(22)27-15(12)24/h2-3,5-6,12,15,24H,4,7-9H2,1H3,(H,19,25)(H,20,23)(H,21,26)/t12-,15?/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-8 (Homo sapiens (Human))	BDBM50189367 (CHEMBL213408 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...) Show SMILES Cc1ccccc1C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C18H21N3O6/c1-10-5-2-3-6-11(10)14(23)20-21-17(26)18(7-4-8-18)16(25)19-12-9-13(22)27-15(12)24/h2-3,5-6,12,15,24H,4,7-9H2,1H3,(H,19,25)(H,20,23)(H,21,26)/t12-,15?/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	310	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of caspase8				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