BindingDB PrimarySearch

BDBM50442991 CHEMBL432537::GNF-Pf-3777::US10669273, Compound 5i

SMILES: [O-][N+](=O)c1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21

InChI Key: InChIKey=UFMQJYHLIUACCG-UHFFFAOYSA-N

Data: 3 KI 8 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50442991
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM50442991 (CHEMBL432537 \| GNF-Pf-3777 \| US10669273, Compound ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate				J Med Chem 56: 8321-31 (2013) Article DOI: 10.1021/jm401195n BindingDB Entry DOI: 10.7270/Q2X34ZWS
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50442991 (CHEMBL432537 \| GNF-Pf-3777 \| US10669273, Compound ...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	215	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant full length C-terminal His-tagged human TDO expressed in Escherichia coli using L-Trp as substrate after 30 m...				Eur J Med Chem 160: 133-145 (2018) Article DOI: 10.1016/j.ejmech.2018.10.017
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2 (Homo sapiens (Human))	BDBM50442991 (CHEMBL432537 \| GNF-Pf-3777 \| US10669273, Compound ...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of va...				Eur J Med Chem 123: 171-179 (2016) Article DOI: 10.1016/j.ejmech.2016.07.013 BindingDB Entry DOI: 10.7270/Q2M90BNZ
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM50442991 (CHEMBL432537 \| GNF-Pf-3777 \| US10669273, Compound ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	550	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)
Peking University US Patent					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50442991 (CHEMBL432537 \| GNF-Pf-3777 \| US10669273, Compound ...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of TDO (unknown origin) expressed in HEK293 cells using L-Trp as substrate after 8 hrs				Eur J Med Chem 160: 133-145 (2018) Article DOI: 10.1016/j.ejmech.2018.10.017
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50442991 (CHEMBL432537 \| GNF-Pf-3777 \| US10669273, Compound ...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant full length C-terminal His-tagged human TDO expressed in Escherichia coli using L-Trp as substrate after 30 mins				Eur J Med Chem 160: 133-145 (2018) Article DOI: 10.1016/j.ejmech.2018.10.017
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50442991 (CHEMBL432537 \| GNF-Pf-3777 \| US10669273, Compound ...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of TDO in human U87 MG cells using L-Trp as substrate after 8 hrs				Eur J Med Chem 160: 133-145 (2018) Article DOI: 10.1016/j.ejmech.2018.10.017
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM50442991 (CHEMBL432537 \| GNF-Pf-3777 \| US10669273, Compound ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0180	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human IDO1 expressed in HEK293 cells assessed as kynurenine release after 5 hrs by spectrophotometry				J Med Chem 56: 8321-31 (2013) Article DOI: 10.1021/jm401195n BindingDB Entry DOI: 10.7270/Q2X34ZWS
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2 (Homo sapiens (Human))	BDBM50442991 (CHEMBL432537 \| GNF-Pf-3777 \| US10669273, Compound ...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO2 expressed in human U87MG cells assessed as reduction in kynurenine formation using L-tryptophan as substrate aft...				Eur J Med Chem 123: 171-179 (2016) Article DOI: 10.1016/j.ejmech.2016.07.013 BindingDB Entry DOI: 10.7270/Q2M90BNZ
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2 (Homo sapiens (Human))	BDBM50442991 (CHEMBL432537 \| GNF-Pf-3777 \| US10669273, Compound ...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynu...				Eur J Med Chem 123: 171-179 (2016) Article DOI: 10.1016/j.ejmech.2016.07.013 BindingDB Entry DOI: 10.7270/Q2M90BNZ
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM50442991 (CHEMBL432537 \| GNF-Pf-3777 \| US10669273, Compound ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate				J Med Chem 56: 8321-31 (2013) Article DOI: 10.1021/jm401195n BindingDB Entry DOI: 10.7270/Q2X34ZWS
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair