Found 54 hits Enz. Inhib. hit(s) with all data for entry = 50011629 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)) | BDBM50549535
(CHEMBL4763375)Show SMILES [H][C@@]1(CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,wD:1.0,(49.52,-49.21,;49.47,-50.71,;50.8,-49.93,;52.14,-50.7,;52.14,-52.25,;53.43,-51.41,;54.62,-52.38,;54.07,-53.81,;54.76,-55.17,;53.93,-56.45,;52.39,-56.37,;51.7,-55,;52.54,-53.72,;54.62,-57.81,;55.95,-57.04,;55.96,-58.58,;53.79,-59.11,;50.8,-53.03,;49.47,-52.25,;48.13,-49.95,;48.12,-48.41,;46.79,-50.72,;46.79,-52.27,;45.45,-49.96,;44.12,-50.73,;44.12,-52.29,;42.78,-53.07,;41.44,-52.29,;40.1,-53.06,;41.44,-50.74,;42.77,-49.97,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human SKOV3 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
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 | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human SKOV3 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549540
(CHEMBL4745769)Show SMILES FC(F)(F)c1ccc2c(OCC22CCN(CC2)C(CC2CC2)C(=O)Nc2ccc(Cl)cc2)c1 | 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 human SKOV3 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549538
(CHEMBL4741630)Show SMILES [H][C@@]1(CC[C@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,1.0,(11.03,-49.44,;10.98,-50.89,;10.98,-52.43,;12.31,-53.2,;13.65,-52.42,;14.94,-51.58,;16.13,-52.55,;15.58,-53.98,;16.27,-55.34,;15.44,-56.62,;13.9,-56.54,;13.21,-55.17,;14.05,-53.9,;16.13,-57.99,;17.46,-57.21,;17.47,-58.75,;15.3,-59.28,;13.65,-50.88,;12.31,-50.11,;9.64,-50.12,;9.63,-48.58,;8.3,-50.9,;8.3,-52.44,;6.96,-50.13,;5.62,-50.91,;5.62,-52.46,;4.29,-53.24,;2.95,-52.46,;1.61,-53.24,;2.95,-50.91,;4.28,-50.14,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human SKOV3 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549546
(CHEMBL4745907)Show SMILES [H][C@@]1(CC[C@@]2(COc3nc(ccc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,wD:1.0,(33.4,-3.4,;33.35,-4.96,;34.67,-4.18,;36.02,-4.95,;36.01,-6.49,;37.3,-5.66,;38.49,-6.62,;37.94,-8.06,;38.63,-9.41,;37.8,-10.69,;36.26,-10.61,;35.58,-9.24,;36.41,-7.97,;38.49,-12.05,;39.82,-11.28,;39.83,-12.81,;37.66,-13.35,;34.68,-7.27,;33.35,-6.5,;32.01,-4.2,;32,-2.66,;30.68,-4.97,;30.68,-6.51,;29.33,-4.21,;28,-4.98,;28,-6.53,;26.66,-7.31,;25.33,-6.53,;23.99,-7.31,;25.33,-4.99,;26.66,-4.22,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human SKOV3 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549548
(CHEMBL4758026)Show SMILES [H][C@@]1(CC[C@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,1.0,wD:19.22,(30.51,-48.63,;30.52,-50.25,;30.52,-51.79,;31.84,-52.56,;33.18,-51.78,;34.47,-50.95,;35.66,-51.91,;35.11,-53.34,;35.79,-54.7,;34.96,-55.98,;33.43,-55.9,;32.74,-54.53,;33.58,-53.26,;35.66,-57.34,;36.99,-56.57,;37,-58.1,;34.83,-58.64,;33.18,-50.24,;31.84,-49.47,;29.18,-49.48,;29.17,-47.95,;27.84,-50.26,;27.84,-51.8,;26.5,-49.5,;25.17,-50.27,;25.17,-51.82,;23.83,-52.6,;22.49,-51.82,;21.15,-52.6,;22.49,-50.27,;23.83,-49.51,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human SKOV3 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549537
(CHEMBL4761104)Show SMILES [H][C@@]1(CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](CC)C(=O)Nc1ccc(Cl)cn1 |r,wU:4.4,19.22,wD:1.0,(11.99,-3.45,;11.89,-5.07,;13.22,-4.29,;14.57,-5.06,;14.56,-6.6,;15.85,-5.77,;17.05,-6.74,;16.49,-8.17,;17.18,-9.53,;16.35,-10.81,;14.81,-10.73,;14.12,-9.36,;14.96,-8.08,;17.05,-12.18,;18.38,-11.4,;18.39,-12.94,;16.21,-13.48,;13.22,-7.38,;11.89,-6.61,;10.55,-4.3,;10.54,-2.76,;11.87,-1.99,;9.21,-5.08,;9.21,-6.62,;7.86,-4.31,;6.53,-5.09,;5.18,-4.32,;3.84,-5.09,;3.84,-6.65,;2.5,-7.42,;5.19,-7.42,;6.53,-6.65,)| | 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 human SKOV3 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Mus musculus) | BDBM50549535
(CHEMBL4763375)Show SMILES [H][C@@]1(CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,wD:1.0,(49.52,-49.21,;49.47,-50.71,;50.8,-49.93,;52.14,-50.7,;52.14,-52.25,;53.43,-51.41,;54.62,-52.38,;54.07,-53.81,;54.76,-55.17,;53.93,-56.45,;52.39,-56.37,;51.7,-55,;52.54,-53.72,;54.62,-57.81,;55.95,-57.04,;55.96,-58.58,;53.79,-59.11,;50.8,-53.03,;49.47,-52.25,;48.13,-49.95,;48.12,-48.41,;46.79,-50.72,;46.79,-52.27,;45.45,-49.96,;44.12,-50.73,;44.12,-52.29,;42.78,-53.07,;41.44,-52.29,;40.1,-53.06,;41.44,-50.74,;42.77,-49.97,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of mouse IDO1 expressed in HEK cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549545
(CHEMBL4743724)Show SMILES [H][C@@]1(CC[C@@]2(COc3ncc(cc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,wD:1.0,(57.96,-4.25,;57.91,-5.87,;59.24,-5.09,;60.58,-5.86,;60.58,-7.4,;61.86,-6.56,;63.05,-7.53,;62.5,-8.96,;63.19,-10.32,;62.36,-11.6,;60.83,-11.51,;60.14,-10.15,;60.98,-8.87,;59.98,-12.8,;61.31,-13.56,;59.98,-14.33,;58.45,-12.72,;59.24,-8.18,;57.91,-7.41,;56.57,-5.1,;56.57,-3.57,;55.24,-5.88,;55.24,-7.42,;53.9,-5.11,;52.56,-5.89,;52.56,-7.44,;51.23,-8.22,;49.89,-7.44,;48.55,-8.22,;49.89,-5.89,;51.22,-5.13,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human SKOV3 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549544
(CHEMBL4764360)Show SMILES CC(C1CCC2(CC1)N(C)Cc1cc(ccc21)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1 |(10.52,-19.22,;10.52,-20.76,;11.87,-21.52,;11.87,-23.06,;13.19,-23.84,;14.53,-23.06,;14.53,-21.51,;13.19,-20.74,;15.82,-22.22,;15.9,-20.69,;17.01,-23.19,;16.46,-24.62,;17.15,-25.98,;16.32,-27.26,;14.78,-27.18,;14.09,-25.81,;14.93,-24.53,;17.01,-28.62,;18.34,-27.85,;18.35,-29.38,;16.18,-29.92,;9.19,-21.53,;9.19,-23.08,;7.84,-20.77,;6.51,-21.54,;6.51,-23.1,;5.17,-23.88,;3.83,-23.1,;2.49,-23.87,;3.83,-21.55,;5.17,-20.78,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human SKOV3 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549550
(CHEMBL4761629)Show SMILES CC(C)(N1CCC2(COc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human SKOV3 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549536
(CHEMBL4751227)Show SMILES CC[C@H](N1CCC2(COc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human SKOV3 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549539
(CHEMBL4743826)Show SMILES CCC(N1CCC2(CCOc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human SKOV3 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549543
(CHEMBL4746699)Show SMILES Fc1ccc2nccc(C3CCN(CC3)C(=O)C(=O)Nc3ccc(Cl)cc3)c2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human SKOV3 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549541
(CHEMBL4752478)Show SMILES CC(N1CCC2(COc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human SKOV3 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549542
(CHEMBL4744209)Show SMILES FC(F)(F)c1ccc2c(OCC22CCN(CC2)C(=O)C(=O)Nc2ccc(Cl)cc2)c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human SKOV3 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Mus musculus) | BDBM50549536
(CHEMBL4751227)Show SMILES CC[C@H](N1CCC2(COc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1 |r| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of mouse IDO1 expressed in HEK cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549552
(CHEMBL4782532)Show SMILES CC(N1CCC2(CCc3ccccc23)CC1)C(=O)Nc1ccc(Cl)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human SKOV3 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
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 | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human whole blood |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549538
(CHEMBL4741630)Show SMILES [H][C@@]1(CC[C@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,1.0,(11.03,-49.44,;10.98,-50.89,;10.98,-52.43,;12.31,-53.2,;13.65,-52.42,;14.94,-51.58,;16.13,-52.55,;15.58,-53.98,;16.27,-55.34,;15.44,-56.62,;13.9,-56.54,;13.21,-55.17,;14.05,-53.9,;16.13,-57.99,;17.46,-57.21,;17.47,-58.75,;15.3,-59.28,;13.65,-50.88,;12.31,-50.11,;9.64,-50.12,;9.63,-48.58,;8.3,-50.9,;8.3,-52.44,;6.96,-50.13,;5.62,-50.91,;5.62,-52.46,;4.29,-53.24,;2.95,-52.46,;1.61,-53.24,;2.95,-50.91,;4.28,-50.14,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human whole blood |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549535
(CHEMBL4763375)Show SMILES [H][C@@]1(CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,wD:1.0,(49.52,-49.21,;49.47,-50.71,;50.8,-49.93,;52.14,-50.7,;52.14,-52.25,;53.43,-51.41,;54.62,-52.38,;54.07,-53.81,;54.76,-55.17,;53.93,-56.45,;52.39,-56.37,;51.7,-55,;52.54,-53.72,;54.62,-57.81,;55.95,-57.04,;55.96,-58.58,;53.79,-59.11,;50.8,-53.03,;49.47,-52.25,;48.13,-49.95,;48.12,-48.41,;46.79,-50.72,;46.79,-52.27,;45.45,-49.96,;44.12,-50.73,;44.12,-52.29,;42.78,-53.07,;41.44,-52.29,;40.1,-53.06,;41.44,-50.74,;42.77,-49.97,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human whole blood |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549547
(CHEMBL4754615)Show SMILES [H][C@@]1(CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,wD:19.22,1.0,(68.16,-49.28,;68.11,-50.84,;69.44,-50.06,;70.78,-50.83,;70.78,-52.37,;72.06,-51.54,;73.25,-52.5,;72.7,-53.94,;73.39,-55.29,;72.56,-56.57,;71.03,-56.49,;70.34,-55.12,;71.18,-53.85,;73.26,-57.93,;74.58,-57.16,;74.59,-58.7,;72.42,-59.23,;69.44,-53.15,;68.11,-52.38,;66.77,-50.08,;66.77,-48.54,;65.44,-50.85,;65.44,-52.39,;64.1,-50.09,;62.76,-50.86,;62.76,-52.41,;61.42,-53.19,;60.09,-52.42,;58.75,-53.19,;60.09,-50.87,;61.42,-50.1,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human SKOV3 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549551
(CHEMBL4797963)Show SMILES OCCC(N1CCC2(COc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human SKOV3 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549549
(CHEMBL4757995)Show SMILES CC[C@@H](N1CCC2(COc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 109 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human SKOV3 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549553
(CHEMBL4741880)Show SMILES FC(F)(F)c1ccc2c(OCC22CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human SKOV3 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549540
(CHEMBL4745769)Show SMILES FC(F)(F)c1ccc2c(OCC22CCN(CC2)C(CC2CC2)C(=O)Nc2ccc(Cl)cc2)c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human whole blood |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549537
(CHEMBL4761104)Show SMILES [H][C@@]1(CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](CC)C(=O)Nc1ccc(Cl)cn1 |r,wU:4.4,19.22,wD:1.0,(11.99,-3.45,;11.89,-5.07,;13.22,-4.29,;14.57,-5.06,;14.56,-6.6,;15.85,-5.77,;17.05,-6.74,;16.49,-8.17,;17.18,-9.53,;16.35,-10.81,;14.81,-10.73,;14.12,-9.36,;14.96,-8.08,;17.05,-12.18,;18.38,-11.4,;18.39,-12.94,;16.21,-13.48,;13.22,-7.38,;11.89,-6.61,;10.55,-4.3,;10.54,-2.76,;11.87,-1.99,;9.21,-5.08,;9.21,-6.62,;7.86,-4.31,;6.53,-5.09,;5.18,-4.32,;3.84,-5.09,;3.84,-6.65,;2.5,-7.42,;5.19,-7.42,;6.53,-6.65,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human whole blood |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549539
(CHEMBL4743826)Show SMILES CCC(N1CCC2(CCOc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human whole blood |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549536
(CHEMBL4751227)Show SMILES CC[C@H](N1CCC2(COc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human whole blood |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549554
(CHEMBL4780026) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human SKOV3 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549541
(CHEMBL4752478)Show SMILES CC(N1CCC2(COc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human whole blood |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549543
(CHEMBL4746699)Show SMILES Fc1ccc2nccc(C3CCN(CC3)C(=O)C(=O)Nc3ccc(Cl)cc3)c2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human whole blood |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549542
(CHEMBL4744209)Show SMILES FC(F)(F)c1ccc2c(OCC22CCN(CC2)C(=O)C(=O)Nc2ccc(Cl)cc2)c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDO1 in human whole blood |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50549535
(CHEMBL4763375)Show SMILES [H][C@@]1(CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,wD:1.0,(49.52,-49.21,;49.47,-50.71,;50.8,-49.93,;52.14,-50.7,;52.14,-52.25,;53.43,-51.41,;54.62,-52.38,;54.07,-53.81,;54.76,-55.17,;53.93,-56.45,;52.39,-56.37,;51.7,-55,;52.54,-53.72,;54.62,-57.81,;55.95,-57.04,;55.96,-58.58,;53.79,-59.11,;50.8,-53.03,;49.47,-52.25,;48.13,-49.95,;48.12,-48.41,;46.79,-50.72,;46.79,-52.27,;45.45,-49.96,;44.12,-50.73,;44.12,-52.29,;42.78,-53.07,;41.44,-52.29,;40.1,-53.06,;41.44,-50.74,;42.77,-49.97,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50549536
(CHEMBL4751227)Show SMILES CC[C@H](N1CCC2(COc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50549544
(CHEMBL4764360)Show SMILES CC(C1CCC2(CC1)N(C)Cc1cc(ccc21)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1 |(10.52,-19.22,;10.52,-20.76,;11.87,-21.52,;11.87,-23.06,;13.19,-23.84,;14.53,-23.06,;14.53,-21.51,;13.19,-20.74,;15.82,-22.22,;15.9,-20.69,;17.01,-23.19,;16.46,-24.62,;17.15,-25.98,;16.32,-27.26,;14.78,-27.18,;14.09,-25.81,;14.93,-24.53,;17.01,-28.62,;18.34,-27.85,;18.35,-29.38,;16.18,-29.92,;9.19,-21.53,;9.19,-23.08,;7.84,-20.77,;6.51,-21.54,;6.51,-23.1,;5.17,-23.88,;3.83,-23.1,;2.49,-23.87,;3.83,-21.55,;5.17,-20.78,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of TDO in HEK cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50549546
(CHEMBL4745907)Show SMILES [H][C@@]1(CC[C@@]2(COc3nc(ccc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,wD:1.0,(33.4,-3.4,;33.35,-4.96,;34.67,-4.18,;36.02,-4.95,;36.01,-6.49,;37.3,-5.66,;38.49,-6.62,;37.94,-8.06,;38.63,-9.41,;37.8,-10.69,;36.26,-10.61,;35.58,-9.24,;36.41,-7.97,;38.49,-12.05,;39.82,-11.28,;39.83,-12.81,;37.66,-13.35,;34.68,-7.27,;33.35,-6.5,;32.01,-4.2,;32,-2.66,;30.68,-4.97,;30.68,-6.51,;29.33,-4.21,;28,-4.98,;28,-6.53,;26.66,-7.31,;25.33,-6.53,;23.99,-7.31,;25.33,-4.99,;26.66,-4.22,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of TDO in HEK cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50549535
(CHEMBL4763375)Show SMILES [H][C@@]1(CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,wD:1.0,(49.52,-49.21,;49.47,-50.71,;50.8,-49.93,;52.14,-50.7,;52.14,-52.25,;53.43,-51.41,;54.62,-52.38,;54.07,-53.81,;54.76,-55.17,;53.93,-56.45,;52.39,-56.37,;51.7,-55,;52.54,-53.72,;54.62,-57.81,;55.95,-57.04,;55.96,-58.58,;53.79,-59.11,;50.8,-53.03,;49.47,-52.25,;48.13,-49.95,;48.12,-48.41,;46.79,-50.72,;46.79,-52.27,;45.45,-49.96,;44.12,-50.73,;44.12,-52.29,;42.78,-53.07,;41.44,-52.29,;40.1,-53.06,;41.44,-50.74,;42.77,-49.97,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of TDO in HEK cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50549538
(CHEMBL4741630)Show SMILES [H][C@@]1(CC[C@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,1.0,(11.03,-49.44,;10.98,-50.89,;10.98,-52.43,;12.31,-53.2,;13.65,-52.42,;14.94,-51.58,;16.13,-52.55,;15.58,-53.98,;16.27,-55.34,;15.44,-56.62,;13.9,-56.54,;13.21,-55.17,;14.05,-53.9,;16.13,-57.99,;17.46,-57.21,;17.47,-58.75,;15.3,-59.28,;13.65,-50.88,;12.31,-50.11,;9.64,-50.12,;9.63,-48.58,;8.3,-50.9,;8.3,-52.44,;6.96,-50.13,;5.62,-50.91,;5.62,-52.46,;4.29,-53.24,;2.95,-52.46,;1.61,-53.24,;2.95,-50.91,;4.28,-50.14,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of TDO in HEK cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50549551
(CHEMBL4797963)Show SMILES OCCC(N1CCC2(COc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of TDO in HEK cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50549535
(CHEMBL4763375)Show SMILES [H][C@@]1(CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,wD:1.0,(49.52,-49.21,;49.47,-50.71,;50.8,-49.93,;52.14,-50.7,;52.14,-52.25,;53.43,-51.41,;54.62,-52.38,;54.07,-53.81,;54.76,-55.17,;53.93,-56.45,;52.39,-56.37,;51.7,-55,;52.54,-53.72,;54.62,-57.81,;55.95,-57.04,;55.96,-58.58,;53.79,-59.11,;50.8,-53.03,;49.47,-52.25,;48.13,-49.95,;48.12,-48.41,;46.79,-50.72,;46.79,-52.27,;45.45,-49.96,;44.12,-50.73,;44.12,-52.29,;42.78,-53.07,;41.44,-52.29,;40.1,-53.06,;41.44,-50.74,;42.77,-49.97,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50549548
(CHEMBL4758026)Show SMILES [H][C@@]1(CC[C@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,1.0,wD:19.22,(30.51,-48.63,;30.52,-50.25,;30.52,-51.79,;31.84,-52.56,;33.18,-51.78,;34.47,-50.95,;35.66,-51.91,;35.11,-53.34,;35.79,-54.7,;34.96,-55.98,;33.43,-55.9,;32.74,-54.53,;33.58,-53.26,;35.66,-57.34,;36.99,-56.57,;37,-58.1,;34.83,-58.64,;33.18,-50.24,;31.84,-49.47,;29.18,-49.48,;29.17,-47.95,;27.84,-50.26,;27.84,-51.8,;26.5,-49.5,;25.17,-50.27,;25.17,-51.82,;23.83,-52.6,;22.49,-51.82,;21.15,-52.6,;22.49,-50.27,;23.83,-49.51,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of TDO in HEK cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50549547
(CHEMBL4754615)Show SMILES [H][C@@]1(CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,wD:19.22,1.0,(68.16,-49.28,;68.11,-50.84,;69.44,-50.06,;70.78,-50.83,;70.78,-52.37,;72.06,-51.54,;73.25,-52.5,;72.7,-53.94,;73.39,-55.29,;72.56,-56.57,;71.03,-56.49,;70.34,-55.12,;71.18,-53.85,;73.26,-57.93,;74.58,-57.16,;74.59,-58.7,;72.42,-59.23,;69.44,-53.15,;68.11,-52.38,;66.77,-50.08,;66.77,-48.54,;65.44,-50.85,;65.44,-52.39,;64.1,-50.09,;62.76,-50.86,;62.76,-52.41,;61.42,-53.19,;60.09,-52.42,;58.75,-53.19,;60.09,-50.87,;61.42,-50.1,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of TDO in HEK cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50549536
(CHEMBL4751227)Show SMILES CC[C@H](N1CCC2(COc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of TDO in HEK cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50549539
(CHEMBL4743826)Show SMILES CCC(N1CCC2(CCOc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of TDO in HEK cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50549549
(CHEMBL4757995)Show SMILES CC[C@@H](N1CCC2(COc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of TDO in HEK cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50549540
(CHEMBL4745769)Show SMILES FC(F)(F)c1ccc2c(OCC22CCN(CC2)C(CC2CC2)C(=O)Nc2ccc(Cl)cc2)c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of TDO in HEK cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50549545
(CHEMBL4743724)Show SMILES [H][C@@]1(CC[C@@]2(COc3ncc(cc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,wD:1.0,(57.96,-4.25,;57.91,-5.87,;59.24,-5.09,;60.58,-5.86,;60.58,-7.4,;61.86,-6.56,;63.05,-7.53,;62.5,-8.96,;63.19,-10.32,;62.36,-11.6,;60.83,-11.51,;60.14,-10.15,;60.98,-8.87,;59.98,-12.8,;61.31,-13.56,;59.98,-14.33,;58.45,-12.72,;59.24,-8.18,;57.91,-7.41,;56.57,-5.1,;56.57,-3.57,;55.24,-5.88,;55.24,-7.42,;53.9,-5.11,;52.56,-5.89,;52.56,-7.44,;51.23,-8.22,;49.89,-7.44,;48.55,-8.22,;49.89,-5.89,;51.22,-5.13,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of TDO in HEK cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50549553
(CHEMBL4741880)Show SMILES FC(F)(F)c1ccc2c(OCC22CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of TDO in HEK cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50549537
(CHEMBL4761104)Show SMILES [H][C@@]1(CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](CC)C(=O)Nc1ccc(Cl)cn1 |r,wU:4.4,19.22,wD:1.0,(11.99,-3.45,;11.89,-5.07,;13.22,-4.29,;14.57,-5.06,;14.56,-6.6,;15.85,-5.77,;17.05,-6.74,;16.49,-8.17,;17.18,-9.53,;16.35,-10.81,;14.81,-10.73,;14.12,-9.36,;14.96,-8.08,;17.05,-12.18,;18.38,-11.4,;18.39,-12.94,;16.21,-13.48,;13.22,-7.38,;11.89,-6.61,;10.55,-4.3,;10.54,-2.76,;11.87,-1.99,;9.21,-5.08,;9.21,-6.62,;7.86,-4.31,;6.53,-5.09,;5.18,-4.32,;3.84,-5.09,;3.84,-6.65,;2.5,-7.42,;5.19,-7.42,;6.53,-6.65,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.64E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of TDO in HEK cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B |
More data for this
Ligand-Target Pair | |
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