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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 = 'BDBM50571885'   
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))
BDBM50571885
PNG
(CHEMBL4877466)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(C)c1C)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,15.17,wD:1.0,(67.15,-31.42,;67.56,-32.91,;66.24,-32.13,;64.9,-32.91,;64.9,-34.45,;66.24,-35.21,;67.56,-34.45,;63.57,-35.22,;62.23,-34.45,;60.9,-35.22,;60.9,-36.77,;62.25,-37.52,;62.26,-39.06,;63.58,-36.75,;64.91,-37.52,;68.9,-32.14,;68.9,-30.6,;70.23,-32.91,;70.23,-34.45,;68.89,-35.22,;71.56,-35.23,;71.55,-36.77,;72.88,-37.54,;74.22,-36.78,;75.55,-37.55,;74.22,-35.23,;72.89,-34.46,)|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50571885
PNG
(CHEMBL4877466)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(C)c1C)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,15.17,wD:1.0,(67.15,-31.42,;67.56,-32.91,;66.24,-32.13,;64.9,-32.91,;64.9,-34.45,;66.24,-35.21,;67.56,-34.45,;63.57,-35.22,;62.23,-34.45,;60.9,-35.22,;60.9,-36.77,;62.25,-37.52,;62.26,-39.06,;63.58,-36.75,;64.91,-37.52,;68.9,-32.14,;68.9,-30.6,;70.23,-32.91,;70.23,-34.45,;68.89,-35.22,;71.56,-35.23,;71.55,-36.77,;72.88,-37.54,;74.22,-36.78,;75.55,-37.55,;74.22,-35.23,;72.89,-34.46,)|
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W
More data for this
Ligand-Target Pair