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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase 2' and Ligand = 'BDBM50514034'   
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 2


(Homo sapiens (Human))
BDBM50514034
PNG
(CHEMBL4588805)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccc(CN4CCOCC4)cc3c(=O)n-21
Show InChI InChI=1S/C20H16FN3O3/c21-13-2-4-17-15(10-13)18(25)19-22-16-3-1-12(9-14(16)20(26)24(17)19)11-23-5-7-27-8-6-23/h1-4,9-10H,5-8,11H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.75E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of C-terminal His6-tagged human IDO2 (14 to 420 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition co...


J Med Chem 62: 9161-9174 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01079
BindingDB Entry DOI: 10.7270/Q27W6GJ0
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))
BDBM50514034
PNG
(CHEMBL4588805)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccc(CN4CCOCC4)cc3c(=O)n-21
Show InChI InChI=1S/C20H16FN3O3/c21-13-2-4-17-15(10-13)18(25)19-22-16-3-1-12(9-14(16)20(26)24(17)19)11-23-5-7-27-8-6-23/h1-4,9-10H,5-8,11H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.65E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human IDO2 transfected in human U87MG cells assessed as reduction in kynurenine production using L-tryptophan as substrate incubated wi...


J Med Chem 62: 9161-9174 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01079
BindingDB Entry DOI: 10.7270/Q27W6GJ0
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))
BDBM50514034
PNG
(CHEMBL4588805)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccc(CN4CCOCC4)cc3c(=O)n-21
Show InChI InChI=1S/C20H16FN3O3/c21-13-2-4-17-15(10-13)18(25)19-22-16-3-1-12(9-14(16)20(26)24(17)19)11-23-5-7-27-8-6-23/h1-4,9-10H,5-8,11H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.96E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His6-tagged human IDO2 (14 to 420 residues) expressed in Escherichia coli BL21 (DE3) assessed as reduction in conversion of ...


J Med Chem 62: 9161-9174 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01079
BindingDB Entry DOI: 10.7270/Q27W6GJ0
More data for this
Ligand-Target Pair