Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM29772'   

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
Cathepsin D (Homo sapiens (Human))	BDBM29772 (7,6,6 tricyclic sulfonamide, 10) Show SMILES CCN1CCN2CCS(=O)(=O)N(C)C3C=C(C=C1C23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r,c:14,t:16| Show InChI InChI=1S/C32H40F3N5O4S/c1-3-39-12-13-40-14-15-45(43,44)38(2)27-18-24(19-28(39)30(27)40)31(42)37-26(17-22-8-5-4-6-9-22)29(41)21-36-20-23-10-7-11-25(16-23)32(33,34)35/h4-11,16,18-19,26-27,29-30,36,41H,3,12-15,17,20-21H2,1-2H3,(H,37,42)/t26-,27?,29+,30?/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	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e...				Bioorg Med Chem Lett 19: 3669-73 (2009) Article DOI: 10.1016/j.bmcl.2009.03.150 BindingDB Entry DOI: 10.7270/Q29885BR
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