Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM232262'   

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))	BDBM232262 (US9345742, 20) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r| Show InChI InChI=1S/C42H64N6O8/c1-11-27(6)36(39(52)48-35(26(4)5)40(53)55-10)46-33(49)24-30(43)31(22-28-18-14-12-15-19-28)44-38(51)34(25(2)3)47-37(50)32(23-29-20-16-13-17-21-29)45-41(54)56-42(7,8)9/h12-21,25-27,30-32,34-36H,11,22-24,43H2,1-10H3,(H,44,51)(H,45,54)(H,46,49)(H,47,50)(H,48,52)/t27-,30-,31-,32-,34-,35-,36-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9345742 (2016) BindingDB Entry DOI: 10.7270/Q25Q4TZD
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