Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-7' and Ligand = 'BDBM50273928'   

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-7 (Homo sapiens (Human))	BDBM50273928 ((S)-1-(4-Fluorobenzyl)-5-(2-(3-fluorophenoxymethyl...) Show SMILES Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccc(F)c2)cc1 |r| Show InChI InChI=1S/C26H22F2N2O5S/c27-18-8-6-17(7-9-18)15-29-24-11-10-22(14-23(24)25(31)26(29)32)36(33,34)30-12-2-4-20(30)16-35-21-5-1-3-19(28)13-21/h1,3,5-11,13-14,20H,2,4,12,15-16H2/t20-/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	n/a	n/a	13.5	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 7 assessed as accumulation of 7-amino-4-methylcoumarin substrate				J Med Chem 51: 8057-67 (2008) Article DOI: 10.1021/jm801107u BindingDB Entry DOI: 10.7270/Q2ZK5GHK
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