Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50199750'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Caspase-1 (Homo sapiens (Human))	BDBM50199750 (CHEMBL243823 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES COc1ccccc1C(=O)NCC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:41.45,t:13| Show InChI InChI=1S/C32H32N4O8/c1-43-26-9-5-4-8-23(26)30(40)33-16-19-10-13-24(35-29(39)22-12-11-20-6-2-3-7-21(20)14-22)31(41)36(17-19)18-27(37)34-25-15-28(38)44-32(25)42/h2-12,14,24-25,32,42H,13,15-18H2,1H3,(H,33,40)(H,34,37)(H,35,39)/t24-,25-,32?/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	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
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