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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50006845'   
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)
BDBM50006845
PNG
(CHEMBL316208 | N-[2-(2-Amino-thiazol-4-yl)-1-(1-cy...)
Show SMILES COc1ccc(C[C@H](NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](Cc2csc(N)n2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
Show InChI InChI=1S/C34H54N6O8S2/c1-22(2)17-30(41)31(42)27(18-23-7-5-4-6-8-23)37-32(43)28(20-25-21-49-34(35)36-25)38-33(44)29(19-24-9-11-26(47-3)12-10-24)39-50(45,46)40-13-15-48-16-14-40/h9-12,21-23,27-31,39,41-42H,4-8,13-20H2,1-3H3,(H2,35,36)(H,37,43)(H,38,44)/t27-,28-,29-,30-,31+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.17E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of Bovine Cathepsin D


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