Found 176 hits with Last Name = 'maley' and Initial = 'd' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50559669
(CHEMBL4756822)Show SMILES CCC([C@H]1CC[C@H](CC1)c1ccnc2ccc(cc12)C(F)(F)F)c1nc2ncc(Cl)cc2[nH]1 |r,wU:6.9,3.2,(5.53,-5.77,;5.53,-7.31,;6.87,-8.07,;6.87,-9.62,;8.2,-10.39,;8.2,-11.94,;6.87,-12.7,;5.53,-11.94,;5.53,-10.39,;6.87,-14.25,;5.52,-15.02,;5.52,-16.57,;6.87,-17.35,;8.21,-16.56,;9.55,-17.33,;10.88,-16.55,;10.87,-15,;9.53,-14.24,;8.21,-15.02,;12.2,-14.22,;13.54,-14.98,;12.19,-12.68,;13.53,-13.44,;8.2,-7.31,;8.2,-5.76,;9.66,-5.28,;10.29,-3.87,;11.82,-3.71,;12.72,-4.96,;14.26,-4.78,;12.09,-6.36,;10.56,-6.53,;9.66,-7.77,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced human HeLa cells incubated for 18 hrs by fluorescence microplate reader assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50559671
(CHEMBL4750659)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)C(CC)c1nc2ncc(Cl)cc2[nH]1 |r,wU:4.7,wD:1.0,(4.82,-9.26,;6.33,-9.52,;5,-10.3,;5,-11.84,;6.33,-12.61,;7.67,-11.84,;7.67,-10.3,;6.33,-14.16,;5,-14.93,;5,-16.47,;6.34,-17.24,;7.66,-16.47,;8.99,-17.24,;10.33,-16.47,;10.34,-14.92,;11.67,-14.14,;8.99,-14.16,;7.67,-14.93,;6.33,-7.98,;5,-7.21,;5,-5.67,;7.67,-7.21,;7.67,-5.66,;9.13,-5.18,;9.76,-3.77,;11.29,-3.61,;12.19,-4.86,;13.73,-4.68,;11.56,-6.26,;10.03,-6.43,;9.13,-7.68,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced human HeLa cells incubated for 18 hrs by fluorescence microplate reader assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50559672
(CHEMBL4750211)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)C(CC)c1nc2ccc(Cl)cc2[nH]1 |r,wU:4.7,wD:1.0,(4.71,-8.61,;6.22,-8.87,;4.89,-9.64,;4.89,-11.19,;6.22,-11.96,;7.56,-11.19,;7.56,-9.64,;6.22,-13.51,;4.89,-14.28,;4.89,-15.82,;6.23,-16.59,;7.56,-15.82,;8.88,-16.59,;10.22,-15.82,;10.23,-14.27,;11.56,-13.49,;8.88,-13.51,;7.56,-14.27,;6.22,-7.32,;4.89,-6.55,;4.89,-5.02,;7.56,-6.56,;7.56,-5.01,;9.02,-4.53,;9.65,-3.12,;11.18,-2.96,;12.08,-4.21,;13.62,-4.03,;11.45,-5.61,;9.92,-5.78,;9.02,-7.02,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced human HeLa cells incubated for 18 hrs by fluorescence microplate reader assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50285416
(CHEMBL4161733)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:18.21,1.0,wD:4.7,(66.16,-9.22,;66.17,-7.68,;66.16,-6.15,;67.5,-5.38,;68.84,-6.15,;68.83,-7.69,;67.5,-8.46,;70.18,-5.39,;71.5,-6.16,;72.84,-5.4,;72.84,-3.85,;71.5,-3.08,;71.5,-1.55,;70.17,-.79,;68.84,-1.56,;67.5,-.8,;68.85,-3.09,;70.18,-3.85,;64.83,-8.46,;64.84,-10,;63.5,-7.69,;63.49,-6.14,;62.16,-8.46,;60.83,-7.69,;59.49,-8.47,;58.15,-7.69,;58.16,-6.14,;56.82,-5.38,;59.49,-5.38,;60.83,-6.14,)| Show InChI InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced human HeLa cells incubated for 18 hrs by fluorescence microplate reader assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Indoleamine 2,3-dioxygenase 1
(Mus musculus) | BDBM50550026
(CHEMBL4786690)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(55.56,-25.24,;55.58,-26.78,;54.24,-26.01,;52.9,-26.78,;52.91,-28.32,;54.25,-29.09,;55.57,-28.32,;51.57,-29.08,;50.24,-28.32,;48.91,-29.1,;48.92,-30.63,;50.25,-31.38,;50.25,-32.93,;51.58,-33.7,;52.92,-32.93,;54.25,-33.69,;52.91,-31.38,;51.58,-30.61,;56.91,-26.01,;56.91,-24.47,;58.24,-26.78,;58.24,-28.32,;56.9,-29.08,;59.58,-29.09,;59.57,-30.63,;60.9,-31.4,;62.24,-30.63,;63.57,-31.4,;62.23,-29.09,;60.9,-28.32,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by IFNgamma stimulation and measured after 18 hrs by |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00668
BindingDB Entry DOI: 10.7270/Q2TM7FR5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50550030
(CHEMBL4743409)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccccc1 |r,wU:4.7,18.21,wD:1.0,(9.78,-48.44,;9.8,-49.98,;8.46,-49.21,;7.12,-49.98,;7.13,-51.52,;8.47,-52.29,;9.79,-51.52,;5.79,-52.29,;4.46,-51.52,;3.14,-52.3,;3.15,-53.83,;4.47,-54.58,;4.47,-56.13,;5.8,-56.9,;7.14,-56.13,;8.47,-56.9,;7.13,-54.58,;5.8,-53.82,;11.13,-49.21,;11.13,-47.67,;12.47,-49.98,;12.46,-51.52,;11.12,-52.29,;13.8,-52.3,;13.79,-53.83,;15.12,-54.6,;16.46,-53.83,;16.46,-52.29,;15.12,-51.52,;17.78,-54.6,;17.78,-56.14,;19.11,-56.91,;20.45,-56.14,;20.45,-54.59,;19.11,-53.83,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by IFNgamma stimulation and measured after 18 hrs by |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00668
BindingDB Entry DOI: 10.7270/Q2TM7FR5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50550026
(CHEMBL4786690)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(55.56,-25.24,;55.58,-26.78,;54.24,-26.01,;52.9,-26.78,;52.91,-28.32,;54.25,-29.09,;55.57,-28.32,;51.57,-29.08,;50.24,-28.32,;48.91,-29.1,;48.92,-30.63,;50.25,-31.38,;50.25,-32.93,;51.58,-33.7,;52.92,-32.93,;54.25,-33.69,;52.91,-31.38,;51.58,-30.61,;56.91,-26.01,;56.91,-24.47,;58.24,-26.78,;58.24,-28.32,;56.9,-29.08,;59.58,-29.09,;59.57,-30.63,;60.9,-31.4,;62.24,-30.63,;63.57,-31.4,;62.23,-29.09,;60.9,-28.32,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by IFNgamma stimulation and measured after 18 hrs by |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00668
BindingDB Entry DOI: 10.7270/Q2TM7FR5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50285416
(CHEMBL4161733)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:18.21,1.0,wD:4.7,(66.16,-9.22,;66.17,-7.68,;66.16,-6.15,;67.5,-5.38,;68.84,-6.15,;68.83,-7.69,;67.5,-8.46,;70.18,-5.39,;71.5,-6.16,;72.84,-5.4,;72.84,-3.85,;71.5,-3.08,;71.5,-1.55,;70.17,-.79,;68.84,-1.56,;67.5,-.8,;68.85,-3.09,;70.18,-3.85,;64.83,-8.46,;64.84,-10,;63.5,-7.69,;63.49,-6.14,;62.16,-8.46,;60.83,-7.69,;59.49,-8.47,;58.15,-7.69,;58.16,-6.14,;56.82,-5.38,;59.49,-5.38,;60.83,-6.14,)| Show InChI InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by IFNgamma stimulation and measured after 18 hrs by |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00668
BindingDB Entry DOI: 10.7270/Q2TM7FR5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50571879
(CHEMBL4848094)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](CC)NC(=O)c1ccc(OC)nc1 |r,wU:4.7,18.20,wD:1.0,(34.27,-3.48,;34.68,-4.96,;33.36,-4.19,;32.03,-4.96,;32.03,-6.5,;33.36,-7.27,;34.68,-6.5,;30.7,-7.28,;29.36,-6.51,;28.03,-7.28,;28.03,-8.82,;29.37,-9.58,;29.38,-11.12,;28.06,-11.89,;30.7,-8.81,;32.03,-9.57,;33.36,-8.8,;32.04,-11.11,;36.02,-4.2,;36.03,-2.66,;37.36,-1.9,;37.35,-4.97,;37.35,-6.51,;36.01,-7.28,;38.68,-7.29,;40.01,-6.52,;41.34,-7.29,;41.34,-8.84,;42.68,-9.61,;42.68,-11.14,;40,-9.6,;38.67,-8.83,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50571880
(CHEMBL4851220)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](COC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.20,wD:1.0,(10.11,-4.67,;10.52,-6.16,;9.2,-5.38,;7.87,-6.16,;7.87,-7.7,;9.2,-8.46,;10.52,-7.7,;6.54,-8.47,;5.2,-7.7,;3.86,-8.47,;3.87,-10.02,;5.21,-10.77,;5.22,-12.31,;3.9,-13.08,;6.54,-10,;7.87,-10.77,;9.2,-10,;7.88,-12.3,;11.86,-5.39,;11.86,-3.85,;13.2,-3.09,;13.2,-1.56,;13.19,-6.16,;13.19,-7.71,;11.85,-8.48,;14.52,-8.48,;14.51,-10.02,;15.84,-10.79,;17.18,-10.03,;18.52,-10.8,;17.18,-8.48,;15.85,-7.71,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50571881
(CHEMBL4845988)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.20,wD:1.0,(66.33,-47.56,;66.74,-49.04,;65.42,-48.27,;64.08,-49.04,;64.08,-50.59,;65.42,-51.35,;66.74,-50.59,;62.75,-51.36,;61.41,-50.59,;60.08,-51.36,;60.08,-52.91,;61.43,-53.66,;61.44,-55.2,;60.12,-55.97,;62.76,-52.89,;64.09,-53.65,;65.41,-52.88,;64.09,-55.19,;68.08,-48.28,;68.08,-46.74,;69.41,-45.98,;69.41,-49.05,;69.41,-50.59,;68.07,-51.36,;70.74,-51.37,;70.73,-52.91,;72.06,-53.68,;73.4,-52.92,;74.73,-53.69,;73.4,-51.37,;72.07,-50.6,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50571883
(CHEMBL4868709)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,16.18,wD:1.0,(28.06,-49.01,;28.46,-50.5,;27.14,-49.72,;25.81,-50.5,;25.81,-52.04,;27.14,-52.81,;28.46,-52.04,;24.48,-52.82,;23.14,-52.04,;21.81,-52.82,;21.81,-54.36,;23.16,-55.12,;23.17,-56.65,;21.84,-57.42,;24.48,-54.34,;25.81,-55.11,;29.8,-49.73,;29.81,-48.19,;31.14,-47.43,;31.14,-50.51,;31.13,-52.05,;29.79,-52.82,;32.46,-52.82,;32.45,-54.36,;33.78,-55.13,;35.12,-54.37,;36.46,-55.14,;35.12,-52.82,;33.79,-52.05,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50550026
(CHEMBL4786690)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(55.56,-25.24,;55.58,-26.78,;54.24,-26.01,;52.9,-26.78,;52.91,-28.32,;54.25,-29.09,;55.57,-28.32,;51.57,-29.08,;50.24,-28.32,;48.91,-29.1,;48.92,-30.63,;50.25,-31.38,;50.25,-32.93,;51.58,-33.7,;52.92,-32.93,;54.25,-33.69,;52.91,-31.38,;51.58,-30.61,;56.91,-26.01,;56.91,-24.47,;58.24,-26.78,;58.24,-28.32,;56.9,-29.08,;59.58,-29.09,;59.57,-30.63,;60.9,-31.4,;62.24,-30.63,;63.57,-31.4,;62.23,-29.09,;60.9,-28.32,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Mus musculus) | BDBM50550026
(CHEMBL4786690)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(55.56,-25.24,;55.58,-26.78,;54.24,-26.01,;52.9,-26.78,;52.91,-28.32,;54.25,-29.09,;55.57,-28.32,;51.57,-29.08,;50.24,-28.32,;48.91,-29.1,;48.92,-30.63,;50.25,-31.38,;50.25,-32.93,;51.58,-33.7,;52.92,-32.93,;54.25,-33.69,;52.91,-31.38,;51.58,-30.61,;56.91,-26.01,;56.91,-24.47,;58.24,-26.78,;58.24,-28.32,;56.9,-29.08,;59.58,-29.09,;59.57,-30.63,;60.9,-31.4,;62.24,-30.63,;63.57,-31.4,;62.23,-29.09,;60.9,-28.32,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50571879
(CHEMBL4848094)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](CC)NC(=O)c1ccc(OC)nc1 |r,wU:4.7,18.20,wD:1.0,(34.27,-3.48,;34.68,-4.96,;33.36,-4.19,;32.03,-4.96,;32.03,-6.5,;33.36,-7.27,;34.68,-6.5,;30.7,-7.28,;29.36,-6.51,;28.03,-7.28,;28.03,-8.82,;29.37,-9.58,;29.38,-11.12,;28.06,-11.89,;30.7,-8.81,;32.03,-9.57,;33.36,-8.8,;32.04,-11.11,;36.02,-4.2,;36.03,-2.66,;37.36,-1.9,;37.35,-4.97,;37.35,-6.51,;36.01,-7.28,;38.68,-7.29,;40.01,-6.52,;41.34,-7.29,;41.34,-8.84,;42.68,-9.61,;42.68,-11.14,;40,-9.6,;38.67,-8.83,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50571883
(CHEMBL4868709)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,16.18,wD:1.0,(28.06,-49.01,;28.46,-50.5,;27.14,-49.72,;25.81,-50.5,;25.81,-52.04,;27.14,-52.81,;28.46,-52.04,;24.48,-52.82,;23.14,-52.04,;21.81,-52.82,;21.81,-54.36,;23.16,-55.12,;23.17,-56.65,;21.84,-57.42,;24.48,-54.34,;25.81,-55.11,;29.8,-49.73,;29.81,-48.19,;31.14,-47.43,;31.14,-50.51,;31.13,-52.05,;29.79,-52.82,;32.46,-52.82,;32.45,-54.36,;33.78,-55.13,;35.12,-54.37,;36.46,-55.14,;35.12,-52.82,;33.79,-52.05,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50550037
(CHEMBL4755937)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 |r,wU:4.7,18.21,wD:1.0,(5,-8.36,;6.52,-8.62,;5.18,-9.39,;5.18,-10.94,;6.52,-11.71,;7.85,-10.94,;7.85,-9.39,;6.52,-13.26,;5.18,-14.03,;5.18,-15.56,;6.52,-16.34,;7.85,-15.57,;9.18,-16.34,;10.52,-15.57,;10.52,-14.02,;11.86,-13.24,;9.18,-13.26,;7.85,-14.03,;6.52,-7.07,;5.18,-6.31,;7.85,-6.31,;7.85,-4.76,;9.32,-4.28,;9.94,-2.87,;11.47,-2.71,;12.37,-3.96,;13.92,-3.78,;11.75,-5.36,;10.22,-5.53,;9.31,-6.77,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced human HeLa cells incubated for 18 hrs by fluorescence microplate reader assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50559675
(CHEMBL4796040)Show SMILES COCC(Nc1nnc(o1)-c1ccc(OC)cc1)[C@H]1CC[C@H](CC1)c1ccnc2ccc(F)cc12 |r,wU:21.26,18.19,(3.5,-4.34,;4.84,-5.11,;6.17,-4.33,;7.51,-5.11,;8.85,-4.33,;10.18,-5.11,;10.51,-6.6,;12.05,-6.78,;12.67,-5.4,;11.52,-4.33,;14.17,-5,;14.57,-3.51,;16.05,-3.12,;17.15,-4.2,;18.63,-3.8,;19.03,-2.31,;16.74,-5.69,;15.26,-6.1,;7.51,-6.64,;8.85,-7.42,;8.85,-8.96,;7.51,-9.73,;6.17,-8.96,;6.17,-7.42,;7.51,-11.28,;6.18,-12.05,;6.18,-13.58,;7.52,-14.36,;8.85,-13.58,;10.18,-14.35,;11.5,-13.57,;11.5,-12.04,;12.83,-11.26,;10.17,-11.28,;8.85,-12.04,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced human HeLa cells incubated for 18 hrs by fluorescence microplate reader assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50559677
(CHEMBL4746203)Show SMILES CCC(Nc1nnc(o1)-c1ccc(OC)cc1)[C@H]1CC[C@H](CC1)c1ccnc2c(F)cc(F)cc12 |r,wU:20.25,17.18,(3.44,-6.79,;4.77,-6.02,;6.11,-6.79,;7.45,-6.02,;8.78,-6.79,;9.11,-8.29,;10.65,-8.46,;11.27,-7.08,;10.11,-6.02,;12.76,-6.68,;13.16,-5.2,;14.65,-4.8,;15.74,-5.89,;17.22,-5.49,;17.62,-4,;15.34,-7.37,;13.86,-7.78,;6.11,-8.33,;7.45,-9.1,;7.45,-10.65,;6.11,-11.42,;4.77,-10.65,;4.77,-9.1,;6.11,-12.96,;4.78,-13.73,;4.78,-15.27,;6.12,-16.05,;7.44,-15.27,;8.78,-16.03,;8.79,-17.57,;10.1,-15.25,;10.1,-13.72,;11.43,-12.96,;8.76,-12.96,;7.45,-13.73,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced human HeLa cells incubated for 18 hrs by fluorescence microplate reader assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50559678
(CHEMBL4763467)Show SMILES CCC(Nc1nnc(o1)-c1ccc(OC)cc1)[C@H]1CC[C@H](CC1)c1ccnc2ccc(cc12)C(F)(F)F |r,wU:20.25,17.18,(3.21,-6.32,;4.54,-5.54,;5.87,-6.32,;7.22,-5.54,;8.55,-6.32,;8.88,-7.82,;10.42,-7.99,;11.04,-6.61,;9.89,-5.54,;12.53,-6.21,;12.93,-4.73,;14.42,-4.33,;15.51,-5.42,;17,-5.02,;17.4,-3.53,;15.11,-6.9,;13.63,-7.31,;5.87,-7.86,;7.22,-8.63,;7.22,-10.18,;5.87,-10.95,;4.54,-10.18,;4.54,-8.63,;5.87,-12.49,;4.54,-13.26,;4.54,-14.8,;5.89,-15.58,;7.21,-14.8,;8.55,-15.56,;9.87,-14.78,;9.87,-13.25,;8.53,-12.5,;7.22,-13.26,;11.2,-12.49,;12.54,-13.26,;11.21,-10.95,;12.53,-11.71,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced human HeLa cells incubated for 18 hrs by fluorescence microplate reader assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50559680
(CHEMBL4780978)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1nc2cc(F)ccc2[nH]1 |wU:4.7,18.21,wD:1.0,(2.35,-2.85,;3.84,-3.25,;2.51,-4.02,;2.51,-5.56,;3.84,-6.33,;5.18,-5.56,;5.18,-4.02,;3.84,-7.87,;2.51,-8.64,;2.51,-10.18,;3.85,-10.95,;5.18,-10.18,;6.51,-10.94,;7.83,-10.16,;7.83,-8.64,;9.16,-7.87,;6.5,-7.88,;5.18,-8.64,;3.84,-1.71,;2.51,-.94,;5.18,-.94,;5.18,.6,;6.68,1.07,;7.29,2.43,;8.79,2.58,;9.56,3.92,;9.67,1.37,;9.06,-0,;7.56,-.15,;6.64,-1.4,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced human HeLa cells incubated for 18 hrs by fluorescence microplate reader assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50559681
(CHEMBL4750132)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)Nc1nnc(o1)-c1ccc(OC)cc1 |wU:4.7,18.21,wD:1.0,(1.38,-4.24,;2.86,-4.64,;1.53,-5.41,;1.53,-6.95,;2.86,-7.72,;4.2,-6.95,;4.2,-5.41,;2.86,-9.26,;1.53,-10.02,;1.53,-11.56,;2.87,-12.34,;4.2,-11.56,;5.54,-12.33,;6.86,-11.55,;6.85,-10.02,;8.18,-9.25,;5.52,-9.26,;4.2,-10.03,;2.86,-3.1,;1.53,-2.33,;4.2,-2.33,;5.53,-3.1,;5.86,-4.59,;7.4,-4.76,;8.02,-3.39,;6.86,-2.33,;9.51,-2.99,;9.91,-1.51,;11.39,-1.11,;12.48,-2.2,;13.97,-1.8,;14.37,-.31,;12.09,-3.68,;10.6,-4.09,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced human HeLa cells incubated for 18 hrs by fluorescence microplate reader assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Mus musculus) | BDBM50559669
(CHEMBL4756822)Show SMILES CCC([C@H]1CC[C@H](CC1)c1ccnc2ccc(cc12)C(F)(F)F)c1nc2ncc(Cl)cc2[nH]1 |r,wU:6.9,3.2,(5.53,-5.77,;5.53,-7.31,;6.87,-8.07,;6.87,-9.62,;8.2,-10.39,;8.2,-11.94,;6.87,-12.7,;5.53,-11.94,;5.53,-10.39,;6.87,-14.25,;5.52,-15.02,;5.52,-16.57,;6.87,-17.35,;8.21,-16.56,;9.55,-17.33,;10.88,-16.55,;10.87,-15,;9.53,-14.24,;8.21,-15.02,;12.2,-14.22,;13.54,-14.98,;12.19,-12.68,;13.53,-13.44,;8.2,-7.31,;8.2,-5.76,;9.66,-5.28,;10.29,-3.87,;11.82,-3.71,;12.72,-4.96,;14.26,-4.78,;12.09,-6.36,;10.56,-6.53,;9.66,-7.77,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced mouse M109 cells incubated for 18 hrs by fluorescence microplate reader assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Mus musculus) | BDBM50559672
(CHEMBL4750211)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)C(CC)c1nc2ccc(Cl)cc2[nH]1 |r,wU:4.7,wD:1.0,(4.71,-8.61,;6.22,-8.87,;4.89,-9.64,;4.89,-11.19,;6.22,-11.96,;7.56,-11.19,;7.56,-9.64,;6.22,-13.51,;4.89,-14.28,;4.89,-15.82,;6.23,-16.59,;7.56,-15.82,;8.88,-16.59,;10.22,-15.82,;10.23,-14.27,;11.56,-13.49,;8.88,-13.51,;7.56,-14.27,;6.22,-7.32,;4.89,-6.55,;4.89,-5.02,;7.56,-6.56,;7.56,-5.01,;9.02,-4.53,;9.65,-3.12,;11.18,-2.96,;12.08,-4.21,;13.62,-4.03,;11.45,-5.61,;9.92,-5.78,;9.02,-7.02,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced mouse M109 cells incubated for 18 hrs by fluorescence microplate reader assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Mus musculus) | BDBM50550030
(CHEMBL4743409)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccccc1 |r,wU:4.7,18.21,wD:1.0,(9.78,-48.44,;9.8,-49.98,;8.46,-49.21,;7.12,-49.98,;7.13,-51.52,;8.47,-52.29,;9.79,-51.52,;5.79,-52.29,;4.46,-51.52,;3.14,-52.3,;3.15,-53.83,;4.47,-54.58,;4.47,-56.13,;5.8,-56.9,;7.14,-56.13,;8.47,-56.9,;7.13,-54.58,;5.8,-53.82,;11.13,-49.21,;11.13,-47.67,;12.47,-49.98,;12.46,-51.52,;11.12,-52.29,;13.8,-52.3,;13.79,-53.83,;15.12,-54.6,;16.46,-53.83,;16.46,-52.29,;15.12,-51.52,;17.78,-54.6,;17.78,-56.14,;19.11,-56.91,;20.45,-56.14,;20.45,-54.59,;19.11,-53.83,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by IFNgamma stimulation and measured after 18 hrs by |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00668
BindingDB Entry DOI: 10.7270/Q2TM7FR5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50571882
(CHEMBL4860353)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1F)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,16.18,wD:1.0,(48.04,-48.32,;48.45,-49.8,;47.12,-49.03,;45.79,-49.8,;45.79,-51.34,;47.12,-52.11,;48.45,-51.34,;44.46,-52.12,;43.12,-51.35,;41.79,-52.12,;41.79,-53.66,;43.14,-54.42,;43.15,-55.96,;41.83,-56.73,;44.47,-53.65,;45.8,-54.41,;49.78,-49.04,;49.79,-47.5,;51.12,-46.74,;51.12,-49.81,;51.11,-51.35,;49.78,-52.12,;52.45,-52.13,;52.43,-53.67,;53.77,-54.44,;55.11,-53.68,;56.44,-54.45,;55.11,-52.13,;53.77,-51.36,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Mus musculus) | BDBM50571884
(CHEMBL4859400)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(F)c1C)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,15.17,wD:1.0,(7.89,-49.37,;8.3,-50.85,;6.98,-50.08,;5.64,-50.85,;5.64,-52.39,;6.98,-53.16,;8.3,-52.39,;4.31,-53.17,;2.98,-52.39,;1.64,-53.17,;1.64,-54.71,;2.99,-55.47,;3,-57,;4.32,-54.7,;5.65,-55.46,;9.64,-50.09,;9.64,-48.55,;10.97,-50.86,;10.97,-52.4,;9.63,-53.17,;12.3,-53.18,;12.29,-54.72,;13.62,-55.49,;14.96,-54.73,;16.29,-55.49,;14.96,-53.18,;13.63,-52.41,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Mus musculus) | BDBM50571886
(CHEMBL4861763)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccncc1C)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,14.16,wD:1.0,(48.54,-31.73,;48.95,-33.21,;47.63,-32.44,;46.29,-33.21,;46.29,-34.76,;47.63,-35.52,;48.95,-34.76,;44.96,-35.53,;43.62,-34.76,;42.29,-35.53,;42.29,-37.08,;43.64,-37.83,;44.97,-37.06,;46.3,-37.82,;50.29,-32.45,;50.29,-30.91,;51.62,-33.22,;51.62,-34.76,;50.28,-35.53,;52.95,-35.54,;52.94,-37.08,;54.27,-37.85,;55.61,-37.09,;56.94,-37.86,;55.61,-35.54,;54.28,-34.77,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50559673
(CHEMBL4779097)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1nc2ncc(Cl)cc2[nH]1 |r,wU:4.7,18.21,wD:1.0,(4.37,-8.37,;5.88,-8.63,;4.55,-9.4,;4.55,-10.95,;5.88,-11.71,;7.22,-10.95,;7.22,-9.4,;5.88,-13.27,;4.54,-14.04,;4.54,-15.57,;5.89,-16.35,;7.21,-15.57,;8.54,-16.35,;9.88,-15.58,;9.88,-14.03,;11.22,-13.25,;8.54,-13.26,;7.22,-14.03,;5.88,-7.08,;4.55,-6.31,;7.22,-6.31,;7.21,-4.77,;8.68,-4.29,;9.31,-2.88,;10.83,-2.72,;11.74,-3.96,;13.28,-3.79,;11.11,-5.37,;9.58,-5.54,;8.68,-6.78,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced human HeLa cells incubated for 18 hrs by fluorescence microplate reader assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50550037
(CHEMBL4755937)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 |r,wU:4.7,18.21,wD:1.0,(5,-8.36,;6.52,-8.62,;5.18,-9.39,;5.18,-10.94,;6.52,-11.71,;7.85,-10.94,;7.85,-9.39,;6.52,-13.26,;5.18,-14.03,;5.18,-15.56,;6.52,-16.34,;7.85,-15.57,;9.18,-16.34,;10.52,-15.57,;10.52,-14.02,;11.86,-13.24,;9.18,-13.26,;7.85,-14.03,;6.52,-7.07,;5.18,-6.31,;7.85,-6.31,;7.85,-4.76,;9.32,-4.28,;9.94,-2.87,;11.47,-2.71,;12.37,-3.96,;13.92,-3.78,;11.75,-5.36,;10.22,-5.53,;9.31,-6.77,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by IFNgamma stimulation and measured after 18 hrs by |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00668
BindingDB Entry DOI: 10.7270/Q2TM7FR5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50571885
(CHEMBL4877466)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(C)c1C)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,15.17,wD:1.0,(67.15,-31.42,;67.56,-32.91,;66.24,-32.13,;64.9,-32.91,;64.9,-34.45,;66.24,-35.21,;67.56,-34.45,;63.57,-35.22,;62.23,-34.45,;60.9,-35.22,;60.9,-36.77,;62.25,-37.52,;62.26,-39.06,;63.58,-36.75,;64.91,-37.52,;68.9,-32.14,;68.9,-30.6,;70.23,-32.91,;70.23,-34.45,;68.89,-35.22,;71.56,-35.23,;71.55,-36.77,;72.88,-37.54,;74.22,-36.78,;75.55,-37.55,;74.22,-35.23,;72.89,-34.46,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50571880
(CHEMBL4851220)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](COC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.20,wD:1.0,(10.11,-4.67,;10.52,-6.16,;9.2,-5.38,;7.87,-6.16,;7.87,-7.7,;9.2,-8.46,;10.52,-7.7,;6.54,-8.47,;5.2,-7.7,;3.86,-8.47,;3.87,-10.02,;5.21,-10.77,;5.22,-12.31,;3.9,-13.08,;6.54,-10,;7.87,-10.77,;9.2,-10,;7.88,-12.3,;11.86,-5.39,;11.86,-3.85,;13.2,-3.09,;13.2,-1.56,;13.19,-6.16,;13.19,-7.71,;11.85,-8.48,;14.52,-8.48,;14.51,-10.02,;15.84,-10.79,;17.18,-10.03,;18.52,-10.8,;17.18,-8.48,;15.85,-7.71,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50571881
(CHEMBL4845988)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.20,wD:1.0,(66.33,-47.56,;66.74,-49.04,;65.42,-48.27,;64.08,-49.04,;64.08,-50.59,;65.42,-51.35,;66.74,-50.59,;62.75,-51.36,;61.41,-50.59,;60.08,-51.36,;60.08,-52.91,;61.43,-53.66,;61.44,-55.2,;60.12,-55.97,;62.76,-52.89,;64.09,-53.65,;65.41,-52.88,;64.09,-55.19,;68.08,-48.28,;68.08,-46.74,;69.41,-45.98,;69.41,-49.05,;69.41,-50.59,;68.07,-51.36,;70.74,-51.37,;70.73,-52.91,;72.06,-53.68,;73.4,-52.92,;74.73,-53.69,;73.4,-51.37,;72.07,-50.6,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Mus musculus) | BDBM50559671
(CHEMBL4750659)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)C(CC)c1nc2ncc(Cl)cc2[nH]1 |r,wU:4.7,wD:1.0,(4.82,-9.26,;6.33,-9.52,;5,-10.3,;5,-11.84,;6.33,-12.61,;7.67,-11.84,;7.67,-10.3,;6.33,-14.16,;5,-14.93,;5,-16.47,;6.34,-17.24,;7.66,-16.47,;8.99,-17.24,;10.33,-16.47,;10.34,-14.92,;11.67,-14.14,;8.99,-14.16,;7.67,-14.93,;6.33,-7.98,;5,-7.21,;5,-5.67,;7.67,-7.21,;7.67,-5.66,;9.13,-5.18,;9.76,-3.77,;11.29,-3.61,;12.19,-4.86,;13.73,-4.68,;11.56,-6.26,;10.03,-6.43,;9.13,-7.68,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced mouse M109 cells incubated for 18 hrs by fluorescence microplate reader assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Mus musculus) | BDBM50285416
(CHEMBL4161733)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:18.21,1.0,wD:4.7,(66.16,-9.22,;66.17,-7.68,;66.16,-6.15,;67.5,-5.38,;68.84,-6.15,;68.83,-7.69,;67.5,-8.46,;70.18,-5.39,;71.5,-6.16,;72.84,-5.4,;72.84,-3.85,;71.5,-3.08,;71.5,-1.55,;70.17,-.79,;68.84,-1.56,;67.5,-.8,;68.85,-3.09,;70.18,-3.85,;64.83,-8.46,;64.84,-10,;63.5,-7.69,;63.49,-6.14,;62.16,-8.46,;60.83,-7.69,;59.49,-8.47,;58.15,-7.69,;58.16,-6.14,;56.82,-5.38,;59.49,-5.38,;60.83,-6.14,)| Show InChI InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16-,17+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced mouse M109 cells incubated for 18 hrs by fluorescence microplate reader assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Mus musculus) | BDBM50285416
(CHEMBL4161733)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:18.21,1.0,wD:4.7,(66.16,-9.22,;66.17,-7.68,;66.16,-6.15,;67.5,-5.38,;68.84,-6.15,;68.83,-7.69,;67.5,-8.46,;70.18,-5.39,;71.5,-6.16,;72.84,-5.4,;72.84,-3.85,;71.5,-3.08,;71.5,-1.55,;70.17,-.79,;68.84,-1.56,;67.5,-.8,;68.85,-3.09,;70.18,-3.85,;64.83,-8.46,;64.84,-10,;63.5,-7.69,;63.49,-6.14,;62.16,-8.46,;60.83,-7.69,;59.49,-8.47,;58.15,-7.69,;58.16,-6.14,;56.82,-5.38,;59.49,-5.38,;60.83,-6.14,)| Show InChI InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16-,17+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by IFNgamma stimulation and measured after 18 hrs by |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00668
BindingDB Entry DOI: 10.7270/Q2TM7FR5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50571884
(CHEMBL4859400)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(F)c1C)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,15.17,wD:1.0,(7.89,-49.37,;8.3,-50.85,;6.98,-50.08,;5.64,-50.85,;5.64,-52.39,;6.98,-53.16,;8.3,-52.39,;4.31,-53.17,;2.98,-52.39,;1.64,-53.17,;1.64,-54.71,;2.99,-55.47,;3,-57,;4.32,-54.7,;5.65,-55.46,;9.64,-50.09,;9.64,-48.55,;10.97,-50.86,;10.97,-52.4,;9.63,-53.17,;12.3,-53.18,;12.29,-54.72,;13.62,-55.49,;14.96,-54.73,;16.29,-55.49,;14.96,-53.18,;13.63,-52.41,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50559679
(CHEMBL4752094)Show SMILES CCC(Nc1nnc(o1)-c1ccc(OC)cc1)[C@H]1CC[C@H](CC1)c1ccnc2ccc(F)cc12 |wU:20.25,17.18,(1.91,-2.89,;3.24,-2.12,;4.57,-2.89,;5.91,-2.12,;7.24,-2.89,;7.58,-4.39,;9.11,-4.56,;9.73,-3.19,;8.58,-2.12,;11.22,-2.79,;11.62,-1.3,;13.1,-.91,;14.19,-2,;15.68,-1.6,;16.08,-.11,;13.8,-3.48,;12.31,-3.88,;4.57,-4.43,;5.91,-5.2,;5.91,-6.74,;4.57,-7.51,;3.24,-6.74,;3.24,-5.2,;4.57,-9.05,;3.24,-9.82,;3.24,-11.36,;4.58,-12.13,;5.91,-11.36,;7.25,-12.12,;8.57,-11.35,;8.56,-9.82,;9.89,-9.05,;7.23,-9.06,;5.91,-9.82,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced human HeLa cells incubated for 18 hrs by fluorescence microplate reader assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Mus musculus) | BDBM50559678
(CHEMBL4763467)Show SMILES CCC(Nc1nnc(o1)-c1ccc(OC)cc1)[C@H]1CC[C@H](CC1)c1ccnc2ccc(cc12)C(F)(F)F |r,wU:20.25,17.18,(3.21,-6.32,;4.54,-5.54,;5.87,-6.32,;7.22,-5.54,;8.55,-6.32,;8.88,-7.82,;10.42,-7.99,;11.04,-6.61,;9.89,-5.54,;12.53,-6.21,;12.93,-4.73,;14.42,-4.33,;15.51,-5.42,;17,-5.02,;17.4,-3.53,;15.11,-6.9,;13.63,-7.31,;5.87,-7.86,;7.22,-8.63,;7.22,-10.18,;5.87,-10.95,;4.54,-10.18,;4.54,-8.63,;5.87,-12.49,;4.54,-13.26,;4.54,-14.8,;5.89,-15.58,;7.21,-14.8,;8.55,-15.56,;9.87,-14.78,;9.87,-13.25,;8.53,-12.5,;7.22,-13.26,;11.2,-12.49,;12.54,-13.26,;11.21,-10.95,;12.53,-11.71,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced mouse M109 cells incubated for 18 hrs by fluorescence microplate reader assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50559671
(CHEMBL4750659)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)C(CC)c1nc2ncc(Cl)cc2[nH]1 |r,wU:4.7,wD:1.0,(4.82,-9.26,;6.33,-9.52,;5,-10.3,;5,-11.84,;6.33,-12.61,;7.67,-11.84,;7.67,-10.3,;6.33,-14.16,;5,-14.93,;5,-16.47,;6.34,-17.24,;7.66,-16.47,;8.99,-17.24,;10.33,-16.47,;10.34,-14.92,;11.67,-14.14,;8.99,-14.16,;7.67,-14.93,;6.33,-7.98,;5,-7.21,;5,-5.67,;7.67,-7.21,;7.67,-5.66,;9.13,-5.18,;9.76,-3.77,;11.29,-3.61,;12.19,-4.86,;13.73,-4.68,;11.56,-6.26,;10.03,-6.43,;9.13,-7.68,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFN-gamma/LPS induced human whole blood assessed as tryptophan/kynurenine level measured after 18 hrs by RapidFire mass spectro... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Mus musculus) | BDBM50571881
(CHEMBL4845988)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.20,wD:1.0,(66.33,-47.56,;66.74,-49.04,;65.42,-48.27,;64.08,-49.04,;64.08,-50.59,;65.42,-51.35,;66.74,-50.59,;62.75,-51.36,;61.41,-50.59,;60.08,-51.36,;60.08,-52.91,;61.43,-53.66,;61.44,-55.2,;60.12,-55.97,;62.76,-52.89,;64.09,-53.65,;65.41,-52.88,;64.09,-55.19,;68.08,-48.28,;68.08,-46.74,;69.41,-45.98,;69.41,-49.05,;69.41,-50.59,;68.07,-51.36,;70.74,-51.37,;70.73,-52.91,;72.06,-53.68,;73.4,-52.92,;74.73,-53.69,;73.4,-51.37,;72.07,-50.6,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Mus musculus) | BDBM50571885
(CHEMBL4877466)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(C)c1C)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,15.17,wD:1.0,(67.15,-31.42,;67.56,-32.91,;66.24,-32.13,;64.9,-32.91,;64.9,-34.45,;66.24,-35.21,;67.56,-34.45,;63.57,-35.22,;62.23,-34.45,;60.9,-35.22,;60.9,-36.77,;62.25,-37.52,;62.26,-39.06,;63.58,-36.75,;64.91,-37.52,;68.9,-32.14,;68.9,-30.6,;70.23,-32.91,;70.23,-34.45,;68.89,-35.22,;71.56,-35.23,;71.55,-36.77,;72.88,-37.54,;74.22,-36.78,;75.55,-37.55,;74.22,-35.23,;72.89,-34.46,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50559670
(CHEMBL4743245)Show SMILES CCC([C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12)c1nc2ccc(Cl)cc2[nH]1 |r,wU:6.9,wD:3.2,(5.76,-6.95,;5.77,-8.49,;7.1,-9.26,;7.1,-10.8,;5.77,-11.58,;5.77,-13.13,;7.1,-13.9,;8.44,-13.13,;8.44,-11.58,;7.1,-15.45,;8.43,-16.22,;8.43,-17.76,;9.77,-18.53,;11.1,-17.76,;11.09,-16.21,;12.41,-15.44,;12.41,-13.91,;11.07,-13.15,;9.75,-13.92,;9.76,-15.44,;8.44,-8.49,;8.43,-6.94,;9.9,-6.46,;10.53,-5.05,;12.06,-4.89,;12.96,-6.14,;14.51,-5.96,;12.33,-7.54,;10.8,-7.71,;9.9,-8.96,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced human HeLa cells incubated for 18 hrs by fluorescence microplate reader assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50550028
(CHEMBL4747228)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(OC)c(c1)N1CCOCC1 |r,wU:4.7,18.21,wD:1.0,(28.54,-48.21,;28.56,-49.75,;27.22,-48.98,;25.88,-49.75,;25.89,-51.29,;27.23,-52.06,;28.55,-51.29,;24.55,-52.06,;23.22,-51.3,;21.89,-52.07,;21.91,-53.6,;23.23,-54.36,;23.23,-55.9,;24.56,-56.67,;25.9,-55.9,;27.23,-56.67,;25.89,-54.35,;24.56,-53.59,;29.89,-48.99,;29.89,-47.45,;31.22,-49.76,;31.22,-51.29,;29.88,-52.06,;32.56,-52.07,;32.55,-53.61,;33.88,-54.38,;35.22,-53.61,;36.55,-54.38,;36.55,-55.92,;35.21,-52.06,;33.88,-51.3,;36.54,-51.29,;37.88,-52.06,;39.2,-51.3,;39.21,-49.76,;37.87,-48.99,;36.53,-49.76,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by IFNgamma stimulation and measured after 18 hrs by |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00668
BindingDB Entry DOI: 10.7270/Q2TM7FR5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50550034
(CHEMBL4757725)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1cccc(Cl)c1 |r,wU:4.7,18.21,wD:1.0,(10.18,-37.54,;10.19,-39.08,;8.86,-38.31,;7.52,-39.08,;7.53,-40.62,;8.86,-41.39,;10.19,-40.62,;6.19,-41.39,;4.86,-40.63,;3.53,-41.4,;3.54,-42.93,;4.87,-43.69,;4.86,-45.23,;6.2,-46,;7.54,-45.23,;8.87,-46,;7.53,-43.68,;6.19,-42.92,;11.53,-38.31,;11.53,-36.77,;12.86,-39.09,;12.86,-40.62,;11.52,-41.39,;14.19,-41.4,;14.19,-42.93,;15.52,-43.71,;16.85,-42.94,;16.85,-41.39,;18.18,-40.62,;15.52,-40.63,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by IFNgamma stimulation and measured after 18 hrs by |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00668
BindingDB Entry DOI: 10.7270/Q2TM7FR5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50550040
(CHEMBL4794508)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)CNc1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(8.99,-13.38,;9,-14.92,;7.67,-14.15,;6.33,-14.92,;6.34,-16.45,;7.67,-17.23,;9,-16.46,;5,-17.22,;3.67,-16.46,;2.34,-17.24,;2.35,-18.77,;3.68,-19.52,;3.67,-21.07,;5.01,-21.84,;6.35,-21.07,;7.68,-21.83,;6.34,-19.52,;5,-18.75,;10.34,-14.15,;10.34,-12.61,;11.67,-14.92,;11.67,-16.46,;13,-17.23,;13,-18.77,;14.33,-19.54,;15.66,-18.77,;17,-19.54,;15.66,-17.23,;14.33,-16.46,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by IFNgamma stimulation and measured after 18 hrs by |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00668
BindingDB Entry DOI: 10.7270/Q2TM7FR5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50571886
(CHEMBL4861763)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccncc1C)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,14.16,wD:1.0,(48.54,-31.73,;48.95,-33.21,;47.63,-32.44,;46.29,-33.21,;46.29,-34.76,;47.63,-35.52,;48.95,-34.76,;44.96,-35.53,;43.62,-34.76,;42.29,-35.53,;42.29,-37.08,;43.64,-37.83,;44.97,-37.06,;46.3,-37.82,;50.29,-32.45,;50.29,-30.91,;51.62,-33.22,;51.62,-34.76,;50.28,-35.53,;52.95,-35.54,;52.94,-37.08,;54.27,-37.85,;55.61,-37.09,;56.94,-37.86,;55.61,-35.54,;54.28,-34.77,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Mus musculus) | BDBM50571883
(CHEMBL4868709)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,16.18,wD:1.0,(28.06,-49.01,;28.46,-50.5,;27.14,-49.72,;25.81,-50.5,;25.81,-52.04,;27.14,-52.81,;28.46,-52.04,;24.48,-52.82,;23.14,-52.04,;21.81,-52.82,;21.81,-54.36,;23.16,-55.12,;23.17,-56.65,;21.84,-57.42,;24.48,-54.34,;25.81,-55.11,;29.8,-49.73,;29.81,-48.19,;31.14,-47.43,;31.14,-50.51,;31.13,-52.05,;29.79,-52.82,;32.46,-52.82,;32.45,-54.36,;33.78,-55.13,;35.12,-54.37,;36.46,-55.14,;35.12,-52.82,;33.79,-52.05,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50559672
(CHEMBL4750211)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)C(CC)c1nc2ccc(Cl)cc2[nH]1 |r,wU:4.7,wD:1.0,(4.71,-8.61,;6.22,-8.87,;4.89,-9.64,;4.89,-11.19,;6.22,-11.96,;7.56,-11.19,;7.56,-9.64,;6.22,-13.51,;4.89,-14.28,;4.89,-15.82,;6.23,-16.59,;7.56,-15.82,;8.88,-16.59,;10.22,-15.82,;10.23,-14.27,;11.56,-13.49,;8.88,-13.51,;7.56,-14.27,;6.22,-7.32,;4.89,-6.55,;4.89,-5.02,;7.56,-6.56,;7.56,-5.01,;9.02,-4.53,;9.65,-3.12,;11.18,-2.96,;12.08,-4.21,;13.62,-4.03,;11.45,-5.61,;9.92,-5.78,;9.02,-7.02,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFN-gamma/LPS induced human whole blood assessed as tryptophan/kynurenine level measured after 18 hrs by RapidFire mass spectro... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50285416
(CHEMBL4161733)Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:18.21,1.0,wD:4.7,(66.16,-9.22,;66.17,-7.68,;66.16,-6.15,;67.5,-5.38,;68.84,-6.15,;68.83,-7.69,;67.5,-8.46,;70.18,-5.39,;71.5,-6.16,;72.84,-5.4,;72.84,-3.85,;71.5,-3.08,;71.5,-1.55,;70.17,-.79,;68.84,-1.56,;67.5,-.8,;68.85,-3.09,;70.18,-3.85,;64.83,-8.46,;64.84,-10,;63.5,-7.69,;63.49,-6.14,;62.16,-8.46,;60.83,-7.69,;59.49,-8.47,;58.15,-7.69,;58.16,-6.14,;56.82,-5.38,;59.49,-5.38,;60.83,-6.14,)| Show InChI InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00668
BindingDB Entry DOI: 10.7270/Q2TM7FR5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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