BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 153 hits with Last Name = 'tomek' and Initial = 'p'   
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))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay B) in Selectin E


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50126144
PNG
(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TDO2 expressed in Escherichia coli BL21 (DE3) assessed as reduction in N-formylkynurenine formation using L-tryptopha...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126143
PNG
(Epacadostat | INCB-024360)
Show SMILES NS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
Show InChI InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 assessed as reduction in N-formylkynurenine formation using L-tryptophan as ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126143
PNG
(Epacadostat | INCB-024360)
Show SMILES NS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
Show InChI InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 assessed as reduction in N-formylkynurenine formation using L-tryptophan as ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tryptophan 2,3-dioxygenase


(Rattus norvegicus)
BDBM50289137
PNG
(6-Fluoro-3-((E)-2-pyridin-3-yl-vinyl)-1H-indole | ...)
Show SMILES Fc1ccc2c(\C=C\c3cccnc3)c[nH]c2c1
Show InChI InChI=1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TDO2 in rat liver homogenate assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 1 hr


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126144
PNG
(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 50n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 45 mins by m...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 51n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in absence of GSH and pre...


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126144
PNG
(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in absence of GSH and pre...


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 assessed as reduction in N-formylkynurenine formation using L-tryptophan as ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126144
PNG
(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 assessed as reduction in N-formylkynurenine formation using L-tryptophan as ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50289137
PNG
(6-Fluoro-3-((E)-2-pyridin-3-yl-vinyl)-1H-indole | ...)
Show SMILES Fc1ccc2c(\C=C\c3cccnc3)c[nH]c2c1
Show InChI InChI=1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TDO2 expressed in Escherichia coli BL21 (DE3) assessed as reduction in N-formylkynurenine formation using L-tryptopha...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126144
PNG
(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 110n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 assessed as reduction in N-formylkynurenine formation using L-tryptophan as ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 assessed as reduction in N-formylkynurenine formation using L-tryptophan as ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50126144
PNG
(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TDO2 expressed in Escherichia coli BL21 (DE3) assessed as reduction in N-formylkynurenine formation using L-tryptopha...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50444455
PNG
(CHEBI:27924 | Phenylhydrazine)
Show SMILES NNc1ccccc1
Show InChI InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 expressed in mouse LLTC cells using L-tryptophan as substrate after 24 hrs


Bioorg Med Chem 21: 7595-603 (2013)


Article DOI: 10.1016/j.bmc.2013.10.037
BindingDB Entry DOI: 10.7270/Q2377B6F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235867
PNG
(CHEMBL1351007)
Show SMILES Oc1nccc(SCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C11H8Cl2N2OS/c12-8-2-1-7(9(13)5-8)6-17-10-3-4-14-11(16)15-10/h1-5H,6H2,(H,14,15,16)
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 200n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human His-tagged IDO1 expressed in mouse LLTC cells using L-tryptophan as substrate after 24 hrs in presence of...


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50444455
PNG
(CHEBI:27924 | Phenylhydrazine)
Show SMILES NNc1ccccc1
Show InChI InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 250n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 using L-tryptophan as substrate after 1 hr


Bioorg Med Chem 21: 7595-603 (2013)


Article DOI: 10.1016/j.bmc.2013.10.037
BindingDB Entry DOI: 10.7270/Q2377B6F
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50289137
PNG
(6-Fluoro-3-((E)-2-pyridin-3-yl-vinyl)-1H-indole | ...)
Show SMILES Fc1ccc2c(\C=C\c3cccnc3)c[nH]c2c1
Show InChI InChI=1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 310n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TDO2 expressed in Escherichia coli BL21 (DE3) assessed as reduction in N-formylkynurenine formation using L-tryptopha...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24776
PNG
(1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...)
Show SMILES O=C1C=CC(=O)c2ccccc12 |c:2|
Show InChI InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 460n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay B) in Selectin E


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235856
PNG
(CHEMBL1976581)
Show SMILES Cc1ccccc1C1=[N+]([O-])c2ccccc2C1=O |c:8|
Show InChI InChI=1S/C15H11NO2/c1-10-6-2-3-7-11(10)14-15(17)12-8-4-5-9-13(12)16(14)18/h2-9H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 460n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibitory activity against cathepsin D


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126144
PNG
(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 590n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human His-tagged IDO1 expressed in mouse LLTC cells using L-tryptophan as substrate after 24 hrs


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235867
PNG
(CHEMBL1351007)
Show SMILES Oc1nccc(SCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C11H8Cl2N2OS/c12-8-2-1-7(9(13)5-8)6-17-10-3-4-14-11(16)15-10/h1-5H,6H2,(H,14,15,16)
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 750n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in presence of GSH and tw...


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235877
PNG
(CHEMBL4105391)
Show SMILES [O-][N+](=O)c1ccc(NCSc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C13H11ClN2O2S/c14-10-1-7-13(8-2-10)19-9-15-11-3-5-12(6-4-11)16(17)18/h1-8,15H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay B) in Selectin E


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM64800
PNG
(1-oxidanidyl-2-phenyl-indol-1-ium-3-one | 1-oxido-...)
Show SMILES [O-][N+]1=C(C(=O)c2ccccc12)c1ccccc1 |t:1|
Show InChI InChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 870n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in absence of GSH and pre...


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24663
PNG
(2-(1H-imidazol-4-yl)phenol | 2-(1H-imidazol-4-yl)p...)
Show SMILES Oc1ccccc1-c1c[nH]cn1
Show InChI InChI=1S/C9H8N2O/c12-9-4-2-1-3-7(9)8-5-10-6-11-8/h1-6,12H,(H,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in absence of GSH and pre...


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50444455
PNG
(CHEBI:27924 | Phenylhydrazine)
Show SMILES NNc1ccccc1
Show InChI InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 expressed in mouse LLTC cells using L-tryptophan as substrate after 24 hrs


Bioorg Med Chem 21: 7595-603 (2013)


Article DOI: 10.1016/j.bmc.2013.10.037
BindingDB Entry DOI: 10.7270/Q2377B6F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50013793
PNG
(CHEMBL3192687)
Show SMILES Oc1ccc2ccccc2c1\C=N\S(=O)(=O)c1cccs1
Show InChI InChI=1S/C15H11NO3S2/c17-14-8-7-11-4-1-2-5-12(11)13(14)10-16-21(18,19)15-6-3-9-20-15/h1-10,17H/b16-10+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.39E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 assessed as reduction in N-formylkynurenine formation using L-tryptophan as ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50444457
PNG
(CHEMBL3092383)
Show SMILES NNc1nc2cc(Cl)ccc2s1
Show InChI InChI=1S/C7H6ClN3S/c8-4-1-2-6-5(3-4)10-7(11-9)12-6/h1-3H,9H2,(H,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 using L-tryptophan as substrate after 1 hr


Bioorg Med Chem 21: 7595-603 (2013)


Article DOI: 10.1016/j.bmc.2013.10.037
BindingDB Entry DOI: 10.7270/Q2377B6F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235919
PNG
(CHEMBL577939)
Show SMILES COc1cc2C(=O)C(c3ccccc3)=[N+]([O-])c2cc1OC |t:14|
Show InChI InChI=1S/C16H13NO4/c1-20-13-8-11-12(9-14(13)21-2)17(19)15(16(11)18)10-6-4-3-5-7-10/h3-9H,1-2H3
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 1.50E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in presence of GSH and tw...


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235869
PNG
(CHEMBL1600105)
Show SMILES Clc1ccc(SCNc2ccccc2Cl)cc1
Show InChI InChI=1S/C13H11Cl2NS/c14-10-5-7-11(8-6-10)17-9-16-13-4-2-1-3-12(13)15/h1-8,16H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in presence of GSH and tw...


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235857
PNG
(CHEMBL581422 | TCMDC-123940)
Show SMILES COc1ccc(cc1)C1=[N+]([O-])c2ccccc2C1=O |c:9|
Show InChI InChI=1S/C15H11NO3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in absence of GSH and pre...


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235857
PNG
(CHEMBL581422 | TCMDC-123940)
Show SMILES COc1ccc(cc1)C1=[N+]([O-])c2ccccc2C1=O |c:9|
Show InChI InChI=1S/C15H11NO3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
In vitro inhibition of plasmepsin-2 from Plasmodium falciparum.


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50568051
PNG
(CHEMBL4092918)
Show SMILES OC1=NN=C2CCN3C(=O)c4ccccc4C3=C12 |t:1,3,18|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.72E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 assessed as reduction in N-formylkynurenine formation using L-tryptophan as ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235883
PNG
(CHEMBL1702248)
Show SMILES Cc1ccc(cc1)[S+]([O-])c1ccc([N+]([O-])=O)c2nonc12
Show InChI InChI=1S/C13H9N3O4S/c1-8-2-4-9(5-3-8)21(19)11-7-6-10(16(17)18)12-13(11)15-20-14-12/h2-7H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in presence of GSH and tw...


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50126143
PNG
(Epacadostat | INCB-024360)
Show SMILES NS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
Show InChI InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 2.12E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TDO2 expressed in Escherichia coli BL21 (DE3) assessed as reduction in N-formylkynurenine formation using L-tryptopha...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM64800
PNG
(1-oxidanidyl-2-phenyl-indol-1-ium-3-one | 1-oxido-...)
Show SMILES [O-][N+]1=C(C(=O)c2ccccc12)c1ccccc1 |t:1|
Show InChI InChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay B) in P-selectin


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50568048
PNG
(CHEMBL1981840)
Show SMILES [O-][N+](=O)\C=C\c1cc2ccccc2[nH]1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.79E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 assessed as reduction in N-formylkynurenine formation using L-tryptophan as ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM58106
PNG
(6-(1,3-dihydrophenanthr[9,10-d]imidazol-2-ylidene)...)
Show SMILES Oc1ccccc1-c1nc2c([nH]1)c1ccccc1c1ccccc21
Show InChI InChI=1S/C21H14N2O/c24-18-12-6-5-11-17(18)21-22-19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)20(19)23-21/h1-12,24H,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in absence of GSH and pre...


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50126143
PNG
(Epacadostat | INCB-024360)
Show SMILES NS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
Show InChI InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 3.43E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TDO2 expressed in Escherichia coli BL21 (DE3) assessed as reduction in N-formylkynurenine formation using L-tryptopha...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)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 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.47E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TDO2 expressed in Escherichia coli BL21 (DE3) assessed as reduction in N-formylkynurenine formation using L-tryptopha...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)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 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.62E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TDO2 expressed in Escherichia coli BL21 (DE3) assessed as reduction in N-formylkynurenine formation using L-tryptopha...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50568050
PNG
(CHEMBL4296947)
Show SMILES Oc1c(ccc2ccccc12)\N=N\c1nnn[nH]1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.78E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 assessed as reduction in N-formylkynurenine formation using L-tryptophan as ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235856
PNG
(CHEMBL1976581)
Show SMILES Cc1ccccc1C1=[N+]([O-])c2ccccc2C1=O |c:8|
Show InChI InChI=1S/C15H11NO2/c1-10-6-2-3-7-11(10)14-15(17)12-8-4-5-9-13(12)16(14)18/h2-9H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay B) in Selectin E


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235919
PNG
(CHEMBL577939)
Show SMILES COc1cc2C(=O)C(c3ccccc3)=[N+]([O-])c2cc1OC |t:14|
Show InChI InChI=1S/C16H13NO4/c1-20-13-8-11-12(9-14(13)21-2)17(19)15(16(11)18)10-6-4-3-5-7-10/h3-9H,1-2H3
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 4.10E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay B) in P-selectin


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235919
PNG
(CHEMBL577939)
Show SMILES COc1cc2C(=O)C(c3ccccc3)=[N+]([O-])c2cc1OC |t:14|
Show InChI InChI=1S/C16H13NO4/c1-20-13-8-11-12(9-14(13)21-2)17(19)15(16(11)18)10-6-4-3-5-7-10/h3-9H,1-2H3
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 4.30E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human His-tagged IDO1 expressed in mouse LLTC cells using L-tryptophan as substrate after 24 hrs


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235867
PNG
(CHEMBL1351007)
Show SMILES Oc1nccc(SCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C11H8Cl2N2OS/c12-8-2-1-7(9(13)5-8)6-17-10-3-4-14-11(16)15-10/h1-5H,6H2,(H,14,15,16)
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 4.30E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in absence of GSH and twe...


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50568051
PNG
(CHEMBL4092918)
Show SMILES OC1=NN=C2CCN3C(=O)c4ccccc4C3=C12 |t:1,3,18|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.35E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TDO2 expressed in Escherichia coli BL21 (DE3) assessed as reduction in N-formylkynurenine formation using L-tryptopha...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50568049
PNG
(CHEMBL1487639)
Show SMILES Oc1ccc(C=O)c2cccnc12
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.37E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 assessed as reduction in N-formylkynurenine formation using L-tryptophan as ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235888
PNG
(CHEMBL2409283)
Show SMILES Cc1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C13H9N3O3S/c1-8-2-4-9(5-3-8)20-11-7-6-10(16(17)18)12-13(11)15-19-14-12/h2-7H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human His-tagged IDO1 expressed in mouse LLTC cells using L-tryptophan as substrate after 24 hrs


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235867
PNG
(CHEMBL1351007)
Show SMILES Oc1nccc(SCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C11H8Cl2N2OS/c12-8-2-1-7(9(13)5-8)6-17-10-3-4-14-11(16)15-10/h1-5H,6H2,(H,14,15,16)
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 4.40E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human His-tagged IDO1 expressed in mouse LLTC cells using L-tryptophan as substrate after 24 hrs


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 153 total )  |  Next  |  Last  >>
Jump to: