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9 similar compounds to monomer 50234052

Compile data set for download or QSAR
Wt: 508.5
BDBM50234046
Wt: 526.5
BDBM50234047
Wt: 344.3
BDBM50234113
Wt: 267.3
BDBM50234099
Wt: 559.4
BDBM50234050
Wt: 494.5
BDBM50234051
Wt: 614.4
BDBM50234103
Wt: 265.2
BDBM50234104
Wt: 546.5
BDBM50234048

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50234046,50234047,50234113,50234099,50234050,50234051,50234103,50234104,50234048   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutamate receptor ionotropic, kainate


(RAT)
BDBM50234104
PNG
(CHEMBL4105498)
Show SMILES Cc1ccc(O[C@H]2CN[C@@H](C2)C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C13H15NO5/c1-7-2-3-11(9(4-7)12(15)16)19-8-5-10(13(17)18)14-6-8/h2-4,8,10,14H,5-6H2,1H3,(H,15,16)(H,17,18)/t8-,10+/m1/s1
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2.34E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Displacement of [3H]NF608 from eGFP-fused recombinant rat full length GluK1 receptor expressed in HEK293T/17 cells by liquid scintillation counting m...


J Med Chem 60: 441-457 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01516
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate


(RAT)
BDBM50234104
PNG
(CHEMBL4105498)
Show SMILES Cc1ccc(O[C@H]2CN[C@@H](C2)C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C13H15NO5/c1-7-2-3-11(9(4-7)12(15)16)19-8-5-10(13(17)18)14-6-8/h2-4,8,10,14H,5-6H2,1H3,(H,15,16)(H,17,18)/t8-,10+/m1/s1
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2.40E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Displacement of [3H]NF608 from eGFP-fused recombinant rat full length GluK1 receptor expressed in HEK293T/17 cells by liquid scintillation counting m...


J Med Chem 60: 441-457 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01516
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50234104
PNG
(CHEMBL4105498)
Show SMILES Cc1ccc(O[C@H]2CN[C@@H](C2)C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C13H15NO5/c1-7-2-3-11(9(4-7)12(15)16)19-8-5-10(13(17)18)14-6-8/h2-4,8,10,14H,5-6H2,1H3,(H,15,16)(H,17,18)/t8-,10+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Displacement of [3H]kainic acid from eGFP-fused recombinant rat full length GluK2 receptor expressed in HEK293T/17 cells by liquid scintillation coun...


J Med Chem 60: 441-457 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01516
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50234104
PNG
(CHEMBL4105498)
Show SMILES Cc1ccc(O[C@H]2CN[C@@H](C2)C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C13H15NO5/c1-7-2-3-11(9(4-7)12(15)16)19-8-5-10(13(17)18)14-6-8/h2-4,8,10,14H,5-6H2,1H3,(H,15,16)(H,17,18)/t8-,10+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Displacement of (RS)-[3H]AMPA from eGFP-fused recombinant rat full length GluA2 receptor expressed in HEK293T/17 cells by liquid scintillation counti...


J Med Chem 60: 441-457 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01516
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50234099
PNG
(CHEMBL4087475)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1)Sc1cccc(c1)C(O)=O
Show InChI InChI=1S/C12H13NO4S/c14-11(15)7-2-1-3-8(4-7)18-9-5-10(12(16)17)13-6-9/h1-4,9-10,13H,5-6H2,(H,14,15)(H,16,17)/t9-,10-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Displacement of [3H]kainic acid from eGFP-fused recombinant rat full length GluK2 receptor expressed in HEK293T/17 cells by liquid scintillation coun...


J Med Chem 60: 441-457 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01516
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate


(Rattus norvegicus)
BDBM50234099
PNG
(CHEMBL4087475)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1)Sc1cccc(c1)C(O)=O
Show InChI InChI=1S/C12H13NO4S/c14-11(15)7-2-1-3-8(4-7)18-9-5-10(12(16)17)13-6-9/h1-4,9-10,13H,5-6H2,(H,14,15)(H,16,17)/t9-,10-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Displacement of [3H]kainic acid from eGFP-fused recombinant rat full length GluK3 receptor expressed in HEK293T/17 cells by liquid scintillation coun...


J Med Chem 60: 441-457 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01516
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate


(RAT)
BDBM50234099
PNG
(CHEMBL4087475)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1)Sc1cccc(c1)C(O)=O
Show InChI InChI=1S/C12H13NO4S/c14-11(15)7-2-1-3-8(4-7)18-9-5-10(12(16)17)13-6-9/h1-4,9-10,13H,5-6H2,(H,14,15)(H,16,17)/t9-,10-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Displacement of [3H]NF608 from eGFP-fused recombinant rat full length GluK1 receptor expressed in HEK293T/17 cells by liquid scintillation counting m...


J Med Chem 60: 441-457 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01516
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate


(Rattus norvegicus)
BDBM50234104
PNG
(CHEMBL4105498)
Show SMILES Cc1ccc(O[C@H]2CN[C@@H](C2)C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C13H15NO5/c1-7-2-3-11(9(4-7)12(15)16)19-8-5-10(13(17)18)14-6-8/h2-4,8,10,14H,5-6H2,1H3,(H,15,16)(H,17,18)/t8-,10+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Displacement of [3H]kainic acid from eGFP-fused recombinant rat full length GluK3 receptor expressed in HEK293T/17 cells by liquid scintillation coun...


J Med Chem 60: 441-457 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01516
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50234047
PNG
(CHEMBL4081989 | US9765018, Example 152)
Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2F)c1
Show InChI InChI=1S/C31H27FN2O5/c1-38-27-15-13-20(17-23(27)30(35)36)21-14-16-29(39-28-12-6-8-19-7-2-3-9-22(19)28)26(18-21)34-31(37)33-25-11-5-4-10-24(25)32/h4-6,8,10-18H,2-3,7,9H2,1H3,(H,35,36)(H2,33,34,37)
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n/an/a 450n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9765018 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50234048
PNG
(CHEMBL4076711 | US9765018, Example 223)
Show SMILES CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(OC(F)F)cc1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C31H28F2N2O5/c1-31(2,3)24-9-4-5-10-26(24)40-27-16-11-20(19-7-6-8-21(17-19)28(36)37)18-25(27)35-30(38)34-22-12-14-23(15-13-22)39-29(32)33/h4-18,29H,1-3H3,(H,36,37)(H2,34,35,38)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9765018 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50234051
PNG
(CHEMBL4088631 | US9765018, Example 226)
Show SMILES Cc1ccc(NC(=O)Nc2cc(ccc2Oc2ccccc2C(C)(C)C)-c2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C31H30N2O4/c1-20-12-15-24(16-13-20)32-30(36)33-26-19-22(21-8-7-9-23(18-21)29(34)35)14-17-28(26)37-27-11-6-5-10-25(27)31(2,3)4/h5-19H,1-4H3,(H,34,35)(H2,32,33,36)
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n/an/a 9.19E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9765018 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50234046
PNG
(CHEMBL4067223 | US9765018, Example 151)
Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C31H28N2O5/c1-37-27-16-14-21(18-25(27)30(34)35)22-15-17-29(38-28-13-7-9-20-8-5-6-12-24(20)28)26(19-22)33-31(36)32-23-10-3-2-4-11-23/h2-4,7,9-11,13-19H,5-6,8,12H2,1H3,(H,34,35)(H2,32,33,36)
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n/an/a 1.12E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9765018 (2017)

More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234103
PNG
(CHEMBL4085937)
Show SMILES Nc1nc(O[C@H](c2ccc(Cl)cc2-c2cc(F)cc(Cl)c2)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C27H25Cl2F4N5O3/c28-15-1-2-18(19(10-15)14-7-16(29)9-17(30)8-14)23(27(31,32)33)41-22-11-21(36-25(34)37-22)38-5-3-26(4-6-38)12-20(24(39)40)35-13-26/h1-2,7-11,20,23,35H,3-6,12-13H2,(H,39,40)(H2,34,36,37)/t20-,23+/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50234051
PNG
(CHEMBL4088631 | US9765018, Example 226)
Show SMILES Cc1ccc(NC(=O)Nc2cc(ccc2Oc2ccccc2C(C)(C)C)-c2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C31H30N2O4/c1-20-12-15-24(16-13-20)32-30(36)33-26-19-22(21-8-7-9-23(18-21)29(34)35)14-17-28(26)37-27-11-6-5-10-25(27)31(2,3)4/h5-19H,1-4H3,(H,34,35)(H2,32,33,36)
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n/an/a 790n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production preincubated with cells followed by IFN-g...


Bioorg Med Chem Lett 27: 582-585 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.015
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50234050
PNG
(CHEMBL4067377 | US9765018, Example 233)
Show SMILES CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(Br)cc1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C30H27BrN2O4/c1-30(2,3)24-9-4-5-10-26(24)37-27-16-11-20(19-7-6-8-21(17-19)28(34)35)18-25(27)33-29(36)32-23-14-12-22(31)13-15-23/h4-18H,1-3H3,(H,34,35)(H2,32,33,36)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production preincubated with cells followed by IFN-g...


Bioorg Med Chem Lett 27: 582-585 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.015
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50234048
PNG
(CHEMBL4076711 | US9765018, Example 223)
Show SMILES CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(OC(F)F)cc1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C31H28F2N2O5/c1-31(2,3)24-9-4-5-10-26(24)40-27-16-11-20(19-7-6-8-21(17-19)28(36)37)18-25(27)35-30(38)34-22-12-14-23(15-13-22)39-29(32)33/h4-18,29H,1-3H3,(H,36,37)(H2,34,35,38)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production preincubated with cells followed by IFN-g...


Bioorg Med Chem Lett 27: 582-585 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.015
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50234050
PNG
(CHEMBL4067377 | US9765018, Example 233)
Show SMILES CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(Br)cc1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C30H27BrN2O4/c1-30(2,3)24-9-4-5-10-26(24)37-27-16-11-20(19-7-6-8-21(17-19)28(34)35)18-25(27)33-29(36)32-23-14-12-22(31)13-15-23/h4-18H,1-3H3,(H,34,35)(H2,32,33,36)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9765018 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50234046
PNG
(CHEMBL4067223 | US9765018, Example 151)
Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C31H28N2O5/c1-37-27-16-14-21(18-25(27)30(34)35)22-15-17-29(38-28-13-7-9-20-8-5-6-12-24(20)28)26(19-22)33-31(36)32-23-10-3-2-4-11-23/h2-4,7,9-11,13-19H,5-6,8,12H2,1H3,(H,34,35)(H2,32,33,36)
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n/an/a 62n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production preincubated with cells followed by IFN-g...


Bioorg Med Chem Lett 27: 582-585 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.015
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50234113
PNG
(CHEMBL4081109)
Show SMILES Oc1ccc(\C=N\n2cnnc2SCc2cc(=O)c(O)co2)cc1
Show InChI InChI=1S/C15H12N4O4S/c20-11-3-1-10(2-4-11)6-17-19-9-16-18-15(19)24-8-12-5-13(21)14(22)7-23-12/h1-7,9,20,22H,8H2/b17-6+
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n/an/a 8.5n/an/an/an/an/an/a



Hunan University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity assessed as reduction in dopachrome formation using L-DOPA as substrate preincubated for 20 mi...


Bioorg Med Chem Lett 27: 530-532 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.027
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50234047
PNG
(CHEMBL4081989 | US9765018, Example 152)
Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2F)c1
Show InChI InChI=1S/C31H27FN2O5/c1-38-27-15-13-20(17-23(27)30(35)36)21-14-16-29(39-28-12-6-8-19-7-2-3-9-22(19)28)26(18-21)34-31(37)33-25-11-5-4-10-24(25)32/h4-6,8,10-18H,2-3,7,9H2,1H3,(H,35,36)(H2,33,34,37)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production preincubated with cells followed by IFN-g...


Bioorg Med Chem Lett 27: 582-585 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.015
More data for this
Ligand-Target Pair