Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase 1' and Ligand = 'BDBM310195'   

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))	BDBM310195 ((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...) Show SMILES Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
ITEOS THERAPEUTICS US Patent					Assay Description To measure enzymatic activity of human IDO1, the reaction mixture contained (final concentrations) potassium phosphate buffer (50 mM, pH 6.5), ascorb...				US Patent US9603836 (2017) BindingDB Entry DOI: 10.7270/Q2MK6FZ8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM310195 ((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...) Show SMILES Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere					Assay Description The compounds of the present invention inhibit the enzymatic activity of human IDO1.To measure enzymatic activity of human IDO1, the reaction mixture...				J Med Chem 52: 646-54 (2009) BindingDB Entry DOI: 10.7270/Q2959KW7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM310195 ((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...) Show SMILES Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc.; iTEOS THERAPEUTICS US Patent					Assay Description To measure enzymatic activity of human IDO1, the reaction mixture contained (final concentrations) potassium phosphate buffer (50 mM, pH 6.5), ascorb...				US Patent US10945994 (2021) BindingDB Entry DOI: 10.7270/Q25D8W03
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM310195 ((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...) Show SMILES Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
iTeos Therapeutics Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO-1 using L-Trp as substrate after 15 mins by PDMAB-based assay				J Med Chem 60: 9617-9629 (2017) Article DOI: 10.1021/acs.jmedchem.7b00974 BindingDB Entry DOI: 10.7270/Q2ZP48M3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Dog)	BDBM310195 ((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...) Show SMILES Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |r| Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc.; iTEOS THERAPEUTICS US Patent					Assay Description To measure enzymatic activity of human IDO1, the reaction mixture contained (final concentrations) potassium phosphate buffer (50 mM, pH 6.5), ascorb...				US Patent US10945994 (2021) BindingDB Entry DOI: 10.7270/Q25D8W03
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM310195 ((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...) Show SMILES Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc.; iTEOS THERAPEUTICS US Patent					Assay Description To measure enzymatic activity of human IDO1, the reaction mixture contained (final concentrations) potassium phosphate buffer (50 mM, pH 6.5), ascorb...				US Patent US10945994 (2021) BindingDB Entry DOI: 10.7270/Q25D8W03
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM310195 ((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...) Show SMILES Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
iTeos Therapeutics Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO-1 using tryptophan as substrate after 22 mins by LC-MS/MS method				J Med Chem 60: 9617-9629 (2017) Article DOI: 10.1021/acs.jmedchem.7b00974 BindingDB Entry DOI: 10.7270/Q2ZP48M3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM310195 ((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...) Show SMILES Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc.; iTEOS THERAPEUTICS US Patent					Assay Description To measure enzymatic activity of human IDO1, the reaction mixture contained (final concentrations) potassium phosphate buffer (50 mM, pH 6.5), ascorb...				US Patent US10945994 (2021) BindingDB Entry DOI: 10.7270/Q25D8W03
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM310195 ((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...) Show SMILES Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
iTeos Therapeutics Curated by ChEMBL					Assay Description Inhibition of IDO-1 in IFN-gamma-stimulated human HeLa cells assessed as decrease in kynurenine production after 16 to 24 hrs by PDMAB method				J Med Chem 60: 9617-9629 (2017) Article DOI: 10.1021/acs.jmedchem.7b00974 BindingDB Entry DOI: 10.7270/Q2ZP48M3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM310195 ((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...) Show SMILES Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
iTeos Therapeutics Curated by ChEMBL					Assay Description Inhibition of IDO-1 in IFN-gamma/LPS-stimulated human THP1 cells assessed as decrease in kynurenine production after 16 to 24 hrs by PDMAB method				J Med Chem 60: 9617-9629 (2017) Article DOI: 10.1021/acs.jmedchem.7b00974 BindingDB Entry DOI: 10.7270/Q2ZP48M3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM310195 ((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...) Show SMILES Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
iTeos Therapeutics Curated by ChEMBL					Assay Description Inhibition of IDO-1 in IFN-gamma/LPS-stimulated human whole blood assessed as decrease in kynurenine production after 24 hrs by LC-MS/MS method				J Med Chem 60: 9617-9629 (2017) Article DOI: 10.1021/acs.jmedchem.7b00974 BindingDB Entry DOI: 10.7270/Q2ZP48M3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM310195 ((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...) Show SMILES Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
iTeos Therapeutics Curated by ChEMBL					Assay Description Inhibition of mouse IDO-1 using tryptophan as substrate after 22 mins by LC-MS/MS method				J Med Chem 60: 9617-9629 (2017) Article DOI: 10.1021/acs.jmedchem.7b00974 BindingDB Entry DOI: 10.7270/Q2ZP48M3
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM310195 ((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...) Show SMILES Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a
iTeos Therapeutics Curated by ChEMBL					Assay Description Binding affinity to ferrous form of human recombinant IDO-1				J Med Chem 60: 9617-9629 (2017) Article DOI: 10.1021/acs.jmedchem.7b00974 BindingDB Entry DOI: 10.7270/Q2ZP48M3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM310195 ((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...) Show SMILES Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a
iTeos Therapeutics Curated by ChEMBL					Assay Description Binding affinity to ferric form of human recombinant IDO-1 in absence of oxygen				J Med Chem 60: 9617-9629 (2017) Article DOI: 10.1021/acs.jmedchem.7b00974 BindingDB Entry DOI: 10.7270/Q2ZP48M3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM310195 ((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...) Show SMILES Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a
iTeos Therapeutics Curated by ChEMBL					Assay Description Binding affinity to ferric form of human recombinant IDO-1 in absence of oxygen and presence of tryptophan				J Med Chem 60: 9617-9629 (2017) Article DOI: 10.1021/acs.jmedchem.7b00974 BindingDB Entry DOI: 10.7270/Q2ZP48M3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM310195 ((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...) Show SMILES Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a
iTeos Therapeutics Curated by ChEMBL					Assay Description Binding affinity to ferric form of human recombinant IDO-1				J Med Chem 60: 9617-9629 (2017) Article DOI: 10.1021/acs.jmedchem.7b00974 BindingDB Entry DOI: 10.7270/Q2ZP48M3
					More data for this Ligand-Target Pair				3D Structure (crystal)