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Compile Data Set for Download or QSAR

Found 2 hits of kd data for polymerid = 1673   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin D


(Homo sapiens (Human))
BDBM50209559
PNG
((4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]am...)
Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C35H41N3O6S/c1-21-11-10-12-22(2)31(21)44-19-28(40)36-26(17-23-13-6-5-7-14-23)30(41)34(43)38-20-45-35(3,4)32(38)33(42)37-29-25-16-9-8-15-24(25)18-27(29)39/h5-16,26-27,29-30,32,39,41H,17-20H2,1-4H3,(H,36,40)(H,37,42)/t26-,27+,29-,30-,32+/m0/s1
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UniProtKB/SwissProt

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PC cid
PC sid
PDB
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Similars

Article
PubMed
n/an/an/a 22n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D (unknown origin)


Bioorg Med Chem Lett 23: 5992-6000 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.030
BindingDB Entry DOI: 10.7270/Q21C1ZB5
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50441657
PNG
(CHEMBL2437491)
Show SMILES CC1(C)SCN(C1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)COc1ccccc1
Show InChI InChI=1S/C33H37N3O6S/c1-33(2)30(31(40)35-28-24-16-10-9-13-22(24)18-26(28)37)36(20-43-33)32(41)29(39)25(17-21-11-5-3-6-12-21)34-27(38)19-42-23-14-7-4-8-15-23/h3-16,25-26,28-30,37,39H,17-20H2,1-2H3,(H,34,38)(H,35,40)/t25-,26+,28-,29-,30?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 142n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D (unknown origin)


Bioorg Med Chem Lett 23: 5992-6000 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.030
BindingDB Entry DOI: 10.7270/Q21C1ZB5
More data for this
Ligand-Target Pair