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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase 1' and Ligand = 'BDBM50567132'   
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))
BDBM50567132
PNG
(CHEMBL4863767)
Show SMILES Fc1ccc(NC(=O)C2(CCC2)C2CCC3C(CCCN3c3ccnc(n3)C(F)(F)F)C2)cc1
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in human whole blood assessed as unbound concentration


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128314
BindingDB Entry DOI: 10.7270/Q2TT4VP5
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50567132
PNG
(CHEMBL4863767)
Show SMILES Fc1ccc(NC(=O)C2(CCC2)C2CCC3C(CCCN3c3ccnc(n3)C(F)(F)F)C2)cc1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in human HeLa cells assessed as production of N-formylkynurenine using tryptophan as substrate in presence of inactivated fetal bo...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128314
BindingDB Entry DOI: 10.7270/Q2TT4VP5
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50567132
PNG
(CHEMBL4863767)
Show SMILES Fc1ccc(NC(=O)C2(CCC2)C2CCC3C(CCCN3c3ccnc(n3)C(F)(F)F)C2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in human HeLa cells assessed as production of N-formylkynurenine using tryptophan as substrate in presence of inactivated fetal bo...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128314
BindingDB Entry DOI: 10.7270/Q2TT4VP5
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50567132
PNG
(CHEMBL4863767)
Show SMILES Fc1ccc(NC(=O)C2(CCC2)C2CCC3C(CCCN3c3ccnc(n3)C(F)(F)F)C2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in human HeLa cells assessed as production of N-formylkynurenine using tryptophan as substrate in presence of inactivated fetal bo...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128314
BindingDB Entry DOI: 10.7270/Q2TT4VP5
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50567132
PNG
(CHEMBL4863767)
Show SMILES Fc1ccc(NC(=O)C2(CCC2)C2CCC3C(CCCN3c3ccnc(n3)C(F)(F)F)C2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in human HeLa cells assessed as production of N-formylkynurenine using tryptophan as substrate in presence of inactivated fetal bo...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128314
BindingDB Entry DOI: 10.7270/Q2TT4VP5
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50567132
PNG
(CHEMBL4863767)
Show SMILES Fc1ccc(NC(=O)C2(CCC2)C2CCC3C(CCCN3c3ccnc(n3)C(F)(F)F)C2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 48n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in human whole blood


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128314
BindingDB Entry DOI: 10.7270/Q2TT4VP5
More data for this
Ligand-Target Pair