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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase 1' and Ligand = 'BDBM50442990'   
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))
BDBM50442990
PNG
(CHEMBL1276265)
Show SMILES Clc1ccc2C(=O)c3nc4ccccc4c(=O)n3-c2c1
Show InChI InChI=1S/C15H7ClN2O2/c16-8-5-6-10-12(7-8)18-14(13(10)19)17-11-4-2-1-3-9(11)15(18)20/h1-7H
PDB
MMDB

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Article
PubMed
4.94E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442990
PNG
(CHEMBL1276265)
Show SMILES Clc1ccc2C(=O)c3nc4ccccc4c(=O)n3-c2c1
Show InChI InChI=1S/C15H7ClN2O2/c16-8-5-6-10-12(7-8)18-14(13(10)19)17-11-4-2-1-3-9(11)15(18)20/h1-7H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 183n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 expressed in HEK293 cells assessed as kynurenine release after 5 hrs by spectrophotometry


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442990
PNG
(CHEMBL1276265)
Show SMILES Clc1ccc2C(=O)c3nc4ccccc4c(=O)n3-c2c1
Show InChI InChI=1S/C15H7ClN2O2/c16-8-5-6-10-12(7-8)18-14(13(10)19)17-11-4-2-1-3-9(11)15(18)20/h1-7H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.44E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair