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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50006860'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cathepsin D


(Bos taurus)
BDBM50006860
PNG
(CHEMBL85672 | {1-[2-(2-Amino-thiazol-4-yl)-1-(1-cy...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NP(=O)(OC(C)C)OC(C)C
Show InChI InChI=1S/C35H58N5O7PS/c1-22(2)17-31(41)32(42)28(18-25-13-9-7-10-14-25)38-33(43)29(20-27-21-49-35(36)37-27)39-34(44)30(19-26-15-11-8-12-16-26)40-48(45,46-23(3)4)47-24(5)6/h8,11-12,15-16,21-25,28-32,41-42H,7,9-10,13-14,17-20H2,1-6H3,(H2,36,37)(H,38,43)(H,39,44)(H,40,45)/t28-,29-,30-,31-,32+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for the percent inhibition of Cathepsin D in Bovine


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair