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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 = 'BDBM50509624'   
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))
BDBM50509624
PNG
(CHEMBL4533432)
Show SMILES CC1(CCN1)C(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)F)=N\O
Show InChI InChI=1S/C17H19F3N6O3S/c1-17(4-5-22-17)16(27)21-6-7-30-15-12(25-29-26-15)14(24-28)23-9-2-3-11(18)10(8-9)13(19)20/h2-3,8,13,22,28H,4-7H2,1H3,(H,21,27)(H,23,24)
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PC cid
PC sid
UniChem
Article
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n/an/a 16n/an/an/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...


ACS Med Chem Lett 11: 179-187 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00572
BindingDB Entry DOI: 10.7270/Q2GX4FWT
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50509624
PNG
(CHEMBL4533432)
Show SMILES CC1(CCN1)C(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)F)=N\O
Show InChI InChI=1S/C17H19F3N6O3S/c1-17(4-5-22-17)16(27)21-6-7-30-15-12(25-29-26-15)14(24-28)23-9-2-3-11(18)10(8-9)13(19)20/h2-3,8,13,22,28H,4-7H2,1H3,(H,21,27)(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...


ACS Med Chem Lett 11: 179-187 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00572
BindingDB Entry DOI: 10.7270/Q2GX4FWT
More data for this
Ligand-Target Pair