Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-3' and Ligand = 'BDBM10564'   

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-3 (Homo sapiens (Human))	BDBM10564 ((3S)-3-[(5-bromopyridin-3-yl)formamido]-4-oxo-9-ph...) Show SMILES OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C(=O)CCCCCc1ccccc1 |r| Show InChI InChI=1S/C21H23BrN2O4/c22-17-11-16(13-23-14-17)21(28)24-18(12-20(26)27)19(25)10-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,11,13-14,18H,2,5-6,9-10,12H2,(H,24,28)(H,26,27)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.69E+4	n/a	n/a	n/a	n/a	7.0	37
Merck Frosst Canada & Co.					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
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