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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tryptophan 2,3-dioxygenase' and Ligand = 'BDBM311863'   
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
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM311863
PNG
(US10155972, Compound Incyte 1)
Show SMILES Nc1nonc1\C(Nc1cc(F)cc(Cl)c1)=N/O
Show InChI InChI=1S/C9H7ClFN5O2/c10-4-1-5(11)3-6(2-4)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
PDB

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UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 398n/an/an/an/an/an/a



Iomet Pharma Ltd.

US Patent


Assay Description
In two separate assays, 0.045 μg/μl of human IDO protein was pre-incubated for 10 min at RT with test compounds NewLink 1 and Incyte 1 in t...


US Patent US10155972 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RDS
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM311863
PNG
(US10155972, Compound Incyte 1)
Show SMILES Nc1nonc1\C(Nc1cc(F)cc(Cl)c1)=N/O
Show InChI InChI=1S/C9H7ClFN5O2/c10-4-1-5(11)3-6(2-4)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.51E+3n/an/an/an/an/an/a



Iomet Pharma Ltd.

US Patent


Assay Description
In two separate assays, 2.5 μg/μl of human TDO protein was pre-incubated for 10 minutes at RT with test compounds 680C91 and LM10 in the pr...


US Patent US10155972 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RDS
More data for this
Ligand-Target Pair