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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50010429'   
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)
BDBM50010429
PNG
(CHEMBL323967 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1
Show InChI InChI=1S/C43H56N8O7/c1-6-28(2)38(41(56)46-25-31-18-13-19-44-24-31)51-37(53)23-36(52)33(20-29-14-9-7-10-15-29)48-40(55)35(22-32-26-45-27-47-32)49-39(54)34(21-30-16-11-8-12-17-30)50-42(57)58-43(3,4)5/h7-19,24,26-28,33-36,38,52H,6,20-23,25H2,1-5H3,(H,45,47)(H,46,56)(H,48,55)(H,49,54)(H,50,57)(H,51,53)/t28-,33-,34-,35-,36-,38-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine Cathepsin D


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair