Found 76 hits Enz. Inhib. hit(s) with all data for entry = 50011640 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)) | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549651
(CHEMBL4749799)Show SMILES Fc1ccc2nccc(C3=CCCN(CC3)C(=O)C(=O)Nc3ccc(Cl)cc3F)c2c1 |t:9| | 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 human SKOV3 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549640
(CHEMBL4753967)Show SMILES O[C@H]1CN(CC[C@@H]1c1ccnc2ccc(F)cc12)C(=O)C(=O)Nc1ccc(Cl)cc1 |r| | 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 | 6.10 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549662
(CHEMBL4740188)Show SMILES Fc1ccc2nccc(C3CCN(CC3)C(=O)C(=O)Nc3ccc(Cl)cc3F)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 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549650
(CHEMBL4764848)Show SMILES Fc1ccc2nccc(C3CCCN(CC3)C(=O)C(=O)Nc3ccc(Cl)cc3F)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 | 8 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549648
(CHEMBL4777262)Show SMILES Fc1ccc2nccc(C3CCN(CC3(F)F)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 | 9 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50235921
(CHEMBL584991)Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549657
(CHEMBL4754544)Show SMILES Fc1ccc2c(ccnc2c1)C1CCN(CC1)C(=O)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 | 19 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549656
(CHEMBL4747072)Show SMILES Clc1ccc(NC(=O)C(=O)N2CCC(CC2)c2ccnc3ccc(Cl)cc23)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 | 19 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549659
(CHEMBL4751316)Show SMILES FC(F)c1ccc(NC(=O)C(=O)N2CCC(CC2)c2ccnc3ccc(F)cc23)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 | 21 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549649
(CHEMBL4752081)Show SMILES CC1(C)CN(CCC1c1ccnc2ccc(F)cc12)C(=O)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 | 23 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549642
(CHEMBL4781703)Show SMILES FC(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 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549661
(CHEMBL4794331)Show SMILES Fc1ccc2nccc(C3CCN(CC3)C(=O)C(=O)Nc3ccc(cc3)C#N)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 | 36 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549647
(CHEMBL4795047)Show SMILES O[C@@H]1CN(CC[C@H]1c1ccnc2ccc(F)cc12)C(=O)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 | 50 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549658
(CHEMBL4793303)Show SMILES Fc1ccc2nccc(C3CCN(CC3)C(=O)C(=O)Nc3ccc(Cl)cn3)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 | 70 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549643
(CHEMBL4788833)Show SMILES FC(F)(F)c1ccc2c(OCC22CCN(CC2)C(=O)C(=O)Nc2ccc(Cl)cn2)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 | 73 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549634
(CHEMBL4745027) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549660
(CHEMBL4792463)Show SMILES Fc1ccc2nccc(C3CCN(CC3)C(=O)C(=O)Nc3ccc(cc3)C(F)(F)F)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 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549646
(CHEMBL4779227)Show SMILES O[C@@H]1CN(CC[C@@H]1c1ccnc2ccc(F)cc12)C(=O)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 | 110 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549655
(CHEMBL4758583)Show SMILES Clc1ccc(NC(=O)C(=O)N2CCC(CC2)c2ccnc3ccc(cc23)C#N)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 | 118 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50235921
(CHEMBL584991)Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of IDO1 (unknown origin) by enzymatic assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549653
(CHEMBL4757209)Show SMILES Clc1ccc(NC(=O)C(=O)N2CCC(CC2)c2cccc(Cl)c2Cl)nc1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 245 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549652
(CHEMBL4757244)Show SMILES FC(F)(F)c1nccc(C2CCN(CC2)C(=O)C(=O)Nc2ccc(Cl)cn2)c1Cl | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 301 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549640
(CHEMBL4753967)Show SMILES O[C@H]1CN(CC[C@@H]1c1ccnc2ccc(F)cc12)C(=O)C(=O)Nc1ccc(Cl)cc1 |r| | 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 | 330 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549637
(CHEMBL4780914)Show SMILES CS(=O)(=O)NCCCNC(=O)C(\Nc1ccc(F)c(Br)c1)=N\O | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 340 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549654
(CHEMBL4754367)Show SMILES Clc1ccc(NC(=O)C(=O)N2CCC(CC2)c2ccnc3ccnn23)nc1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 433 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549644
(CHEMBL4796121)Show SMILES Clc1ccc(NC(=O)C(=O)N2CCC3(COc4ccccc34)CC2)nc1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 490 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549641
(CHEMBL4754956)Show SMILES FC(F)(F)c1ccc2c(OCC22CCCN(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 | 700 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(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
| Article PubMed
| n/a | n/a | 730 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549638
(CHEMBL4761608)Show SMILES NS(=O)(=O)NCCCNC(=O)C(\Nc1ccc(F)c(Cl)c1)=N\O | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20E+3 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549635
(CHEMBL4753372) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.80E+3 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP2C8 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50549656
(CHEMBL4747072)Show SMILES Clc1ccc(NC(=O)C(=O)N2CCC(CC2)c2ccnc3ccc(Cl)cc23)cc1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.50E+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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549645
(CHEMBL4799553)Show SMILES O[C@H]1CN(CC[C@H]1c1ccnc2ccc(F)cc12)C(=O)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 | 3.00E+3 | 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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(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
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.90E+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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50549649
(CHEMBL4752081)Show SMILES CC1(C)CN(CCC1c1ccnc2ccc(F)cc12)C(=O)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 | 4.50E+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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50549543
(CHEMBL4746699)Show SMILES Fc1ccc2nccc(C3CCN(CC3)C(=O)C(=O)Nc3ccc(Cl)cc3)c2c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP2C8 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50549637
(CHEMBL4780914)Show SMILES CS(=O)(=O)NCCCNC(=O)C(\Nc1ccc(F)c(Br)c1)=N\O | 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 IDO1 (unknown origin) by enzymatic assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(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
| Article PubMed
| n/a | n/a | 5.10E+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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50549661
(CHEMBL4794331)Show SMILES Fc1ccc2nccc(C3CCN(CC3)C(=O)C(=O)Nc3ccc(cc3)C#N)c2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.50E+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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50549659
(CHEMBL4751316)Show SMILES FC(F)c1ccc(NC(=O)C(=O)N2CCC(CC2)c2ccnc3ccc(F)cc23)cc1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.80E+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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50549650
(CHEMBL4764848)Show SMILES Fc1ccc2nccc(C3CCCN(CC3)C(=O)C(=O)Nc3ccc(Cl)cc3F)c2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.90E+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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50549658
(CHEMBL4793303)Show SMILES Fc1ccc2nccc(C3CCN(CC3)C(=O)C(=O)Nc3ccc(Cl)cn3)c2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.90E+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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50549655
(CHEMBL4758583)Show SMILES Clc1ccc(NC(=O)C(=O)N2CCC(CC2)c2ccnc3ccc(cc23)C#N)cc1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.10E+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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(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 | 6.10E+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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50549648
(CHEMBL4777262)Show SMILES Fc1ccc2nccc(C3CCN(CC3(F)F)C(=O)C(=O)Nc3ccc(Cl)cc3)c2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.30E+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.2020.127744 BindingDB Entry DOI: 10.7270/Q29S1VP1 |
More data for this Ligand-Target Pair | |