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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50368157'   
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)
BDBM50368157
PNG
(CHEMBL1203095)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C41H65N9O6/c1-4-27(2)38(41(56)46-26-31-25-45-28(3)47-39(31)43)50-37(54)24-34(51)32(22-29-14-8-5-9-15-29)48-36(53)19-21-44-40(55)33(23-30-16-10-6-11-17-30)49-35(52)18-12-7-13-20-42/h6,10-11,16-17,25,27,29,32-34,38,51H,4-5,7-9,12-15,18-24,26,42H2,1-3H3,(H,44,55)(H,46,56)(H,48,53)(H,49,52)(H,50,54)(H2,43,45,47)/t27-,32-,33-,34-,38-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/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