Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50291983'
TargetCaspase-1(Homo sapiens (Human))
BASF Bioresearch Corporation

Curated by ChEMBL
LigandPNGBDBM50291983(5-(4-Benzyl-5-oxo-2,5-dihydro-furan-3-yloxy)-3-[(S...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)COC1=C(Cc2ccccc2)C(=O)OC1
Show InChI InChI=1S/C32H37N3O10/c1-19(2)28(35-32(42)45-16-22-12-8-5-9-13-22)30(40)33-20(3)29(39)34-24(15-27(37)38)25(36)17-43-26-18-44-31(41)23(26)14-21-10-6-4-7-11-21/h4-13,19-20,24,28H,14-18H2,1-3H3,(H,33,40)(H,34,39)(H,35,42)(H,37,38)/t20-,24?,28-/m0/s1
Affinity DataKoff:  2.52E+5s-1Assay Description:Evaluated for kinetic dissociation constant (kon) for the inhibition of caspase-1.More data for this Ligand-Target Pair