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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase 1' and Ligand = 'BDBM50235856'   
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
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235856
PNG
(CHEMBL1976581)
Show SMILES Cc1ccccc1C1=[N+]([O-])c2ccccc2C1=O |c:8|
Show InChI InChI=1S/C15H11NO2/c1-10-6-2-3-7-11(10)14-15(17)12-8-4-5-9-13(12)16(14)18/h2-9H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 460n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibitory activity against cathepsin D


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235856
PNG
(CHEMBL1976581)
Show SMILES Cc1ccccc1C1=[N+]([O-])c2ccccc2C1=O |c:8|
Show InChI InChI=1S/C15H11NO2/c1-10-6-2-3-7-11(10)14-15(17)12-8-4-5-9-13(12)16(14)18/h2-9H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay B) in Selectin E


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair