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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for UniProtKB: P11838   
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
Endothiapepsin


(Cryphonectria parasitica)
BDBM50546276
PNG
(CHEMBL4743297)
Show SMILES NC(Cc1c[nH]c2ccccc12)C(=O)N\N=C\c1cccc(\C=N\NC(=O)C(N)Cc2c[nH]c3ccccc23)c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 54n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Endothia parasitica endothiapepsin using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00242
BindingDB Entry DOI: 10.7270/Q2KD22HB
More data for this
Ligand-Target Pair
Endothiapepsin


(Cryphonectria parasitica)
BDBM50546275
PNG
(CHEMBL4797373)
Show SMILES Cc1cc(C)c(\C=N\NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)c(C)c1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.28E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Endothia parasitica endothiapepsin using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00242
BindingDB Entry DOI: 10.7270/Q2KD22HB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Endothiapepsin


(Cryphonectria parasitica)
BDBM50514427
PNG
(CHEMBL4452904)
Show SMILES Oc1ccc(CCn2cc(nn2)-c2ccc(cc2)N2CCNCC2)cc1
Show InChI InChI=1S/C20H23N5O/c26-19-7-1-16(2-8-19)9-12-25-15-20(22-23-25)17-3-5-18(6-4-17)24-13-10-21-11-14-24/h1-8,15,21,26H,9-14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30E+4n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of Cryphonectria parasitica Endothiapepsin using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 substrate by fluorescence screening assay


J Med Chem 63: 3817-3833 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01183
BindingDB Entry DOI: 10.7270/Q2NZ8C0R
More data for this
Ligand-Target Pair
Endothiapepsin


(Cryphonectria parasitica)
BDBM50546277
PNG
(CHEMBL4747458)
Show SMILES C#Cc1ccc(cc1)N1CCNCC1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Endothia parasitica endothiapepsin using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00242
BindingDB Entry DOI: 10.7270/Q2KD22HB
More data for this
Ligand-Target Pair