BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50046927   
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))
BDBM50138819
PNG
(CHEMBL3753837 | US10233190, Example 1357)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H21FN2O/c19-14-8-4-7-13-16-10-20-11-21(16)15(18(13)14)9-17(22)12-5-2-1-3-6-12/h4,7-8,10-12,15,17,22H,1-3,5-6,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PDB
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as conversion of N-formylkynurenine to kynurenine incubated for 1 hr by fluorescence analysis


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 38n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as conversion of N-formylkynurenine to kynurenine incubated for 1 hr by fluorescence analysis


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50138818
PNG
(CHEMBL3754460 | US10233190, Example 1356)
Show SMILES Fc1cccc2-c3cncn3C(CC(=O)C3CCCCC3)c12
Show InChI InChI=1S/C18H19FN2O/c19-14-8-4-7-13-16-10-20-11-21(16)15(18(13)14)9-17(22)12-5-2-1-3-6-12/h4,7-8,10-12,15H,1-3,5-6,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PDB
Article
PubMed
n/an/a 279n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as conversion of N-formylkynurenine to kynurenine incubated for 1 hr by fluorescence analysis


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126145
PNG
(CHEMBL3629570)
Show SMILES O=C(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H20N2O/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/h4-5,8-9,11-13,16H,1-3,6-7,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 468n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as conversion of N-formylkynurenine to kynurenine incubated for 1 hr by fluorescence analysis


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50138829
PNG
(CHEMBL3754097 | US10233190, Example 1416)
Show SMILES O[C@@H](C[C@@H]1c2ccccc2-c2cncn12)C1CCCCC1 |r|
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/t16-,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in M15(pREP4) cells using L-tryptophan as substrate assessed as conversion of N-formylkynurenine to ky...


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50138830
PNG
(CHEMBL3752659 | US10233190, Example 1415)
Show SMILES O[C@H](C[C@@H]1c2ccccc2-c2cncn12)C1CCCCC1 |r|
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/t16-,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in M15(pREP4) cells using L-tryptophan as substrate assessed as conversion of N-formylkynurenine to ky...


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50138828
PNG
(CHEMBL3752060 | US10233190, Example 1417)
Show SMILES O[C@@H](C[C@H]1c2ccccc2-c2cncn12)C1CCCCC1 |r|
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/t16-,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in M15(pREP4) cells using L-tryptophan as substrate assessed as conversion of N-formylkynurenine to ky...


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50138827
PNG
(CHEMBL3752711 | US10233190, Example 1418)
Show SMILES O[C@H](C[C@H]1c2ccccc2-c2cncn12)C1CCCCC1 |r|
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/t16-,18+/m0/s1
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<1.00E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in M15(pREP4) cells using L-tryptophan as substrate assessed as conversion of N-formylkynurenine to ky...


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50138822
PNG
(CHEMBL3753777)
Show SMILES OC(CC1Nc2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H23N3O/c22-17(13-6-2-1-3-7-13)10-18-20-15-9-5-4-8-14(15)16-11-19-12-21(16)18/h4-5,8-9,11-13,17-18,20,22H,1-3,6-7,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.14E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as conversion of N-formylkynurenine to kynurenine incubated for 1 hr by fluorescence analysis


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50030791
PNG
(CHEMBL3342402)
Show SMILES Cc1ccc(cc1)-c1csc2nnc(SCC(=O)Nc3ccc4OCOc4c3)n12
Show InChI InChI=1S/C20H16N4O3S2/c1-12-2-4-13(5-3-12)15-9-28-19-22-23-20(24(15)19)29-10-18(25)21-14-6-7-16-17(8-14)27-11-26-16/h2-9H,10-11H2,1H3,(H,21,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 by Bridge-IT Tryptophan fluorescence assay


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50138821
PNG
(CHEMBL3747548 | US9617272, Compound 66 | US9981973...)
Show SMILES OC(CC1c2ccccc2-c2cnnn12)C1CCCCC1
Show InChI InChI=1S/C17H21N3O/c21-17(12-6-2-1-3-7-12)10-15-13-8-4-5-9-14(13)16-11-18-19-20(15)16/h4-5,8-9,11-12,15,17,21H,1-3,6-7,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as conversion of N-formylkynurenine to kynurenine incubated for 1 hr by fluorescence analysis


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50138826
PNG
(CHEMBL3752732)
Show SMILES OC(Cn1c2ccccc2c2cccnc12)C1CCCCC1
Show InChI InChI=1S/C19H22N2O/c22-18(14-7-2-1-3-8-14)13-21-17-11-5-4-9-15(17)16-10-6-12-20-19(16)21/h4-6,9-12,14,18,22H,1-3,7-8,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as conversion of N-formylkynurenine to kynurenine incubated for 1 hr by fluorescence analysis


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50138825
PNG
(CHEMBL3754016)
Show SMILES O=C(Cn1c2ccccc2c2cccnc12)C1CCCCC1
Show InChI InChI=1S/C19H20N2O/c22-18(14-7-2-1-3-8-14)13-21-17-11-5-4-9-15(17)16-10-6-12-20-19(16)21/h4-6,9-12,14H,1-3,7-8,13H2
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>1.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as conversion of N-formylkynurenine to kynurenine incubated for 1 hr by fluorescence analysis


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50138820
PNG
(CHEMBL3752239)
Show SMILES Cc1ncc2-c3ccccc3C(CC(O)C3CCCCC3)n12
Show InChI InChI=1S/C19H24N2O/c1-13-20-12-18-16-10-6-5-9-15(16)17(21(13)18)11-19(22)14-7-3-2-4-8-14/h5-6,9-10,12,14,17,19,22H,2-4,7-8,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as conversion of N-formylkynurenine to kynurenine incubated for 1 hr by fluorescence analysis


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50138824
PNG
(CHEMBL3752209)
Show SMILES OC(Cn1c2ccccc2c2ccncc12)C1CCCCC1
Show InChI InChI=1S/C19H22N2O/c22-19(14-6-2-1-3-7-14)13-21-17-9-5-4-8-15(17)16-10-11-20-12-18(16)21/h4-5,8-12,14,19,22H,1-3,6-7,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 4.80E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as conversion of N-formylkynurenine to kynurenine incubated for 1 hr by fluorescence analysis


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50138822
PNG
(CHEMBL3753777)
Show SMILES OC(CC1Nc2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H23N3O/c22-17(13-6-2-1-3-7-13)10-18-20-15-9-5-4-8-14(15)16-11-19-12-21(16)18/h4-5,8-9,11-13,17-18,20,22H,1-3,6-7,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells incubated for 24 hrs


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50138821
PNG
(CHEMBL3747548 | US9617272, Compound 66 | US9981973...)
Show SMILES OC(CC1c2ccccc2-c2cnnn12)C1CCCCC1
Show InChI InChI=1S/C17H21N3O/c21-17(12-6-2-1-3-7-12)10-15-13-8-4-5-9-14(13)16-11-18-19-20(15)16/h4-5,8-9,11-12,15,17,21H,1-3,6-7,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells incubated for 24 hrs


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50138819
PNG
(CHEMBL3753837 | US10233190, Example 1357)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H21FN2O/c19-14-8-4-7-13-16-10-20-11-21(16)15(18(13)14)9-17(22)12-5-2-1-3-6-12/h4,7-8,10-12,15,17,22H,1-3,5-6,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PDB
Article
PubMed
n/an/an/an/a 55n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells incubated for 24 hrs


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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/an/an/a 61n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells incubated for 24 hrs


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50138818
PNG
(CHEMBL3754460 | US10233190, Example 1356)
Show SMILES Fc1cccc2-c3cncn3C(CC(=O)C3CCCCC3)c12
Show InChI InChI=1S/C18H19FN2O/c19-14-8-4-7-13-16-10-20-11-21(16)15(18(13)14)9-17(22)12-5-2-1-3-6-12/h4,7-8,10-12,15H,1-3,5-6,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PDB
Article
PubMed
n/an/an/an/a 725n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells incubated for 24 hrs


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126145
PNG
(CHEMBL3629570)
Show SMILES O=C(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H20N2O/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/h4-5,8-9,11-13,16H,1-3,6-7,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 749n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells incubated for 24 hrs


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50138820
PNG
(CHEMBL3752239)
Show SMILES Cc1ncc2-c3ccccc3C(CC(O)C3CCCCC3)n12
Show InChI InChI=1S/C19H24N2O/c1-13-20-12-18-16-10-6-5-9-15(16)17(21(13)18)11-19(22)14-7-3-2-4-8-14/h5-6,9-10,12,14,17,19,22H,2-4,7-8,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells incubated for 24 hrs


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair