BDBM50189359 CHEMBL210114::N'-(1-(((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-yl)carbamoyl)cyclohexanecarbonyl)-2,6-dimethylbenzohydrazide

SMILES: Cc1cccc(C)c1C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O

InChI Key: InChIKey=MXZKDHBBWMNOME-PIVQAISJSA-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 = 50189359   

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))	BDBM50189359 (CHEMBL210114 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...) Show SMILES Cc1cccc(C)c1C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C21H27N3O6/c1-12-7-6-8-13(2)16(12)17(26)23-24-20(29)21(9-4-3-5-10-21)19(28)22-14-11-15(25)30-18(14)27/h6-8,14,18,27H,3-5,9-11H2,1-2H3,(H,22,28)(H,23,26)(H,24,29)/t14-,18?/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))	BDBM50189359 (CHEMBL210114 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...) Show SMILES Cc1cccc(C)c1C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C21H27N3O6/c1-12-7-6-8-13(2)16(12)17(26)23-24-20(29)21(9-4-3-5-10-21)19(28)22-14-11-15(25)30-18(14)27/h6-8,14,18,27H,3-5,9-11H2,1-2H3,(H,22,28)(H,23,26)(H,24,29)/t14-,18?/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	230	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