BDBM50300305 4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide::CHEMBL584991::US10669273, Compound INCB024360
SMILES: Nc1nonc1C(NO)=Nc1ccc(F)c(Cl)c1
InChI Key: InChIKey=HGXSLPIXNPASGZ-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM50300305 (4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indian Institute of Technology Curated by ChEMBL | Assay Description Inhibition of N-terminus 6xHis-tagged human IDO1 expressed in Escherichia coli M15 using L-tryptophan as substrate preincubated for 1 hr measured aft... | ACS Med Chem Lett 7: 1167-1172 (2016) Article DOI: 10.1021/acsmedchemlett.6b00359 BindingDB Entry DOI: 10.7270/Q2TF009K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM50300305 (4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation Curated by ChEMBL | Assay Description Competitive inhibition of IDO1 (unknown origin) | ACS Med Chem Lett 8: 486-491 (2017) BindingDB Entry DOI: 10.7270/Q2G73H0Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tryptophan 2,3-dioxygenase (Homo sapiens (Human)) | BDBM50300305 (4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indian Institute of Technology Curated by ChEMBL | Assay Description Inhibition of N-terminal 6xHis-tagged human TDO expressed in Escherichia cli Rosetta (DE3) pLysS using L-tryptophan as substrate preincubated for 1 h... | ACS Med Chem Lett 7: 1167-1172 (2016) Article DOI: 10.1021/acsmedchemlett.6b00359 BindingDB Entry DOI: 10.7270/Q2TF009K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM50300305 (4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 59 | n/a | n/a | n/a | n/a |
Indian Institute of Technology Curated by ChEMBL | Assay Description Inhibition of IDO1 in IFNgamma-induced human MDA-MB-231 cells using tryptophan as substrate preincubated for 4 hrs followed by substrate addition for... | ACS Med Chem Lett 7: 1167-1172 (2016) Article DOI: 10.1021/acsmedchemlett.6b00359 BindingDB Entry DOI: 10.7270/Q2TF009K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM50300305 (4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation Curated by ChEMBL | Assay Description Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec... | J Med Chem 52: 7364-7 (2009) Article DOI: 10.1021/jm900518f BindingDB Entry DOI: 10.7270/Q29P32KW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM50300305 (4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation Curated by ChEMBL | Assay Description Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry | J Med Chem 52: 7364-7 (2009) Article DOI: 10.1021/jm900518f BindingDB Entry DOI: 10.7270/Q29P32KW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase 1 (Mus musculus) | BDBM50300305 (4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation Curated by ChEMBL | Assay Description Inhibition of indoleamine 2,3-dioxygenase in mouse B16 cells assessed as kynurenine formation by spectrophotometry | J Med Chem 52: 7364-7 (2009) Article DOI: 10.1021/jm900518f BindingDB Entry DOI: 10.7270/Q29P32KW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tryptophan 2,3-dioxygenase (Homo sapiens (Human)) | BDBM50300305 (4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation Curated by ChEMBL | Assay Description Inhibition of tryptophan 2,3-dioxygenase | J Med Chem 52: 7364-7 (2009) Article DOI: 10.1021/jm900518f BindingDB Entry DOI: 10.7270/Q29P32KW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tryptophan 2,3-dioxygenase (Homo sapiens (Human)) | BDBM50300305 (4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation Curated by ChEMBL | Assay Description Inhibition of tryptophan 2,3-dioxygenase by cell-based assay | J Med Chem 52: 7364-7 (2009) Article DOI: 10.1021/jm900518f BindingDB Entry DOI: 10.7270/Q29P32KW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase 1 (Mus musculus) | BDBM50300305 (4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation Curated by ChEMBL | Assay Description Inhibition of indoleamine 2,3-dioxygenase in mouse B16 cells assessed as kynurenine formation by adjusted cell-based spectrophotometry | J Med Chem 52: 7364-7 (2009) Article DOI: 10.1021/jm900518f BindingDB Entry DOI: 10.7270/Q29P32KW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase 1 (Mus musculus) | BDBM50300305 (4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig Center for Cancer Research of the University of Lausanne Curated by ChEMBL | Assay Description Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis | J Med Chem 55: 5270-90 (2012) Article DOI: 10.1021/jm300260v BindingDB Entry DOI: 10.7270/Q27H1KNW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM50300305 (4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig Center for Cancer Research of the University of Lausanne Curated by ChEMBL | Assay Description Inhibition of human IDO1 transfected in mouse P815B clone-6 cells by HPLC analysis | J Med Chem 55: 5270-90 (2012) Article DOI: 10.1021/jm300260v BindingDB Entry DOI: 10.7270/Q27H1KNW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tryptophan 2,3-dioxygenase (Mus musculus) | BDBM50300305 (4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig Center for Cancer Research of the University of Lausanne Curated by ChEMBL | Assay Description Inhibition of mouse TDO in P815 clone 12 cells by HPLC analysis | J Med Chem 55: 5270-90 (2012) Article DOI: 10.1021/jm300260v BindingDB Entry DOI: 10.7270/Q27H1KNW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tryptophan 2,3-dioxygenase (Homo sapiens (Human)) | BDBM50300305 (4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig Center for Cancer Research of the University of Lausanne Curated by ChEMBL | Assay Description Inhibition of human TDO transfected in mouse P815B clone 19 cells by HPLC analysis | J Med Chem 55: 5270-90 (2012) Article DOI: 10.1021/jm300260v BindingDB Entry DOI: 10.7270/Q27H1KNW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM50300305 (4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation Curated by ChEMBL | Assay Description Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as decrease in kynurenine levels after 48 hrs | ACS Med Chem Lett 8: 486-491 (2017) BindingDB Entry DOI: 10.7270/Q2G73H0Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM50300305 (4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation Curated by ChEMBL | Assay Description Inhibition of human N-terminal His-tagged IDO1 expressed in Escherichia coli using D-Trp as substrate | ACS Med Chem Lett 8: 486-491 (2017) BindingDB Entry DOI: 10.7270/Q2G73H0Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM50300305 (4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University US Patent | Assay Description Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature... | US Patent US10669273 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM50300305 (4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Indian Institute of Technology Curated by ChEMBL | Assay Description Inhibition of N-terminus 6xHis-tagged human IDO1 expressed in Escherichia coli M15 using L-tryptophan as substrate preincubated for 1 hr measured aft... | ACS Med Chem Lett 7: 1167-1172 (2016) Article DOI: 10.1021/acsmedchemlett.6b00359 BindingDB Entry DOI: 10.7270/Q2TF009K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM50300305 (4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Indian Institute of Technology Curated by ChEMBL | Assay Description Inhibition of N-terminus 6xHis-tagged human IDO1 expressed in Escherichia coli M15 using L-tryptophan as substrate preincubated for 1 hr measured aft... | ACS Med Chem Lett 7: 1167-1172 (2016) Article DOI: 10.1021/acsmedchemlett.6b00359 BindingDB Entry DOI: 10.7270/Q2TF009K | |||||||||||
More data for this Ligand-Target Pair |