Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase 1' and Ligand = 'BDBM50235919'   

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))	BDBM50235919 (CHEMBL577939) Show SMILES COc1cc2C(=O)C(c3ccccc3)=[N+]([O-])c2cc1OC |t:14| Show InChI InChI=1S/C16H13NO4/c1-20-13-8-11-12(9-14(13)21-2)17(19)15(16(11)18)10-6-4-3-5-7-10/h3-9H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in presence of GSH and tw...				Eur J Med Chem 126: 983-996 (2017) Article DOI: 10.1016/j.ejmech.2016.12.029 BindingDB Entry DOI: 10.7270/Q2RX9F9K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50235919 (CHEMBL577939) Show SMILES COc1cc2C(=O)C(c3ccccc3)=[N+]([O-])c2cc1OC |t:14| Show InChI InChI=1S/C16H13NO4/c1-20-13-8-11-12(9-14(13)21-2)17(19)15(16(11)18)10-6-4-3-5-7-10/h3-9H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay B) in P-selectin				Eur J Med Chem 126: 983-996 (2017) Article DOI: 10.1016/j.ejmech.2016.12.029 BindingDB Entry DOI: 10.7270/Q2RX9F9K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50235919 (CHEMBL577939) Show SMILES COc1cc2C(=O)C(c3ccccc3)=[N+]([O-])c2cc1OC |t:14| Show InChI InChI=1S/C16H13NO4/c1-20-13-8-11-12(9-14(13)21-2)17(19)15(16(11)18)10-6-4-3-5-7-10/h3-9H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His-tagged IDO1 expressed in mouse LLTC cells using L-tryptophan as substrate after 24 hrs				Eur J Med Chem 126: 983-996 (2017) Article DOI: 10.1016/j.ejmech.2016.12.029 BindingDB Entry DOI: 10.7270/Q2RX9F9K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50235919 (CHEMBL577939) Show SMILES COc1cc2C(=O)C(c3ccccc3)=[N+]([O-])c2cc1OC |t:14| Show InChI InChI=1S/C16H13NO4/c1-20-13-8-11-12(9-14(13)21-2)17(19)15(16(11)18)10-6-4-3-5-7-10/h3-9H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in absence of GSH and twe...				Eur J Med Chem 126: 983-996 (2017) Article DOI: 10.1016/j.ejmech.2016.12.029 BindingDB Entry DOI: 10.7270/Q2RX9F9K
					More data for this Ligand-Target Pair