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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 = 'BDBM494675'   
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))
BDBM494675
PNG
((2-((4-(N-(6-fluoro-2,3-dihydro-1H- inden-1-yl)-N'...)
Show SMILES NC(=O)CSc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C14H14FN5O3S/c15-8-3-1-7-2-4-10(9(7)5-8)17-13(18-22)12-14(20-23-19-12)24-6-11(16)21/h1,3,5,10,22H,2,4,6H2,(H2,16,21)(H,17,18)
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MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 45.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM494675
PNG
((2-((4-(N-(6-fluoro-2,3-dihydro-1H- inden-1-yl)-N'...)
Show SMILES NC(=O)CSc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C14H14FN5O3S/c15-8-3-1-7-2-4-10(9(7)5-8)17-13(18-22)12-14(20-23-19-12)24-6-11(16)21/h1,3,5,10,22H,2,4,6H2,(H2,16,21)(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.03E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair