Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50453945'   

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))	BDBM50453945 (CHEMBL4205880) Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CCCC2)NC(=O)c1nccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C25H28N4O6/c30-20-13-18(25(34)35-20)28-22(31)19-10-9-15-6-2-4-8-17(24(33)29(15)19)27-23(32)21-16-7-3-1-5-14(16)11-12-26-21/h1,3,5,7,11-12,15,17-19,25,34H,2,4,6,8-10,13H2,(H,27,32)(H,28,31)/t15-,17-,18-,19-,25?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Edelris Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase1 expressed in Escherichia coli using AC-WEHD-AMC as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 27: 5373-5377 (2017) Article DOI: 10.1016/j.bmcl.2017.11.015 BindingDB Entry DOI: 10.7270/Q2377C96
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