Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50007998   

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))	BDBM50126143 (Epacadostat | INCB-024360) Show SMILES NS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50514760 (CHEMBL4448402) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C24H20N4O/c29-24(22-13-19-8-1-2-9-20(19)27-22)25-14-17-6-5-7-18(12-17)15-28-16-26-21-10-3-4-11-23(21)28/h1-13,16,27H,14-15H2,(H,25,29)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of mouse IDO1 transfected in P815 cells assessed as reduction in L-Kyn level measured after 16 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50514753 (CHEMBL4557994) Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of mouse IDO1 transfected in P815 cells assessed as reduction in L-Kyn level measured after 16 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514753 (CHEMBL4557994) Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human LXF-289 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514753 (CHEMBL4557994) Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514759 (CHEMBL4571131) Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccc(Br)cc23)c1 Show InChI InChI=1S/C20H16Br2N4O/c21-15-4-5-17-19(8-15)26(12-25-17)11-14-3-1-2-13(6-14)9-24-20(27)18-7-16(22)10-23-18/h1-8,10,12,23H,9,11H2,(H,24,27)	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
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514753 (CHEMBL4557994) Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human MCF7 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514753 (CHEMBL4557994) Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HepG2 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514753 (CHEMBL4557994) Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514760 (CHEMBL4448402) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C24H20N4O/c29-24(22-13-19-8-1-2-9-20(19)27-22)25-14-17-6-5-7-18(12-17)15-28-16-26-21-10-3-4-11-23(21)28/h1-13,16,27H,14-15H2,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514760 (CHEMBL4448402) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C24H20N4O/c29-24(22-13-19-8-1-2-9-20(19)27-22)25-14-17-6-5-7-18(12-17)15-28-16-26-21-10-3-4-11-23(21)28/h1-13,16,27H,14-15H2,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514760 (CHEMBL4448402) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C24H20N4O/c29-24(22-13-19-8-1-2-9-20(19)27-22)25-14-17-6-5-7-18(12-17)15-28-16-26-21-10-3-4-11-23(21)28/h1-13,16,27H,14-15H2,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human MCF7 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514752 (CHEMBL4458549) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1ccc(cc1)C#N Show InChI InChI=1S/C23H18N4O/c24-13-17-8-10-20(11-9-17)23(28)25-14-18-4-3-5-19(12-18)15-27-16-26-21-6-1-2-7-22(21)27/h1-12,16H,14-15H2,(H,25,28)	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
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514752 (CHEMBL4458549) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1ccc(cc1)C#N Show InChI InChI=1S/C23H18N4O/c24-13-17-8-10-20(11-9-17)23(28)25-14-18-4-3-5-19(12-18)15-27-16-26-21-6-1-2-7-22(21)27/h1-12,16H,14-15H2,(H,25,28)	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
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514752 (CHEMBL4458549) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1ccc(cc1)C#N Show InChI InChI=1S/C23H18N4O/c24-13-17-8-10-20(11-9-17)23(28)25-14-18-4-3-5-19(12-18)15-27-16-26-21-6-1-2-7-22(21)27/h1-12,16H,14-15H2,(H,25,28)	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
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human MCF7 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50514752 (CHEMBL4458549) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1ccc(cc1)C#N Show InChI InChI=1S/C23H18N4O/c24-13-17-8-10-20(11-9-17)23(28)25-14-18-4-3-5-19(12-18)15-27-16-26-21-6-1-2-7-22(21)27/h1-12,16H,14-15H2,(H,25,28)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of mouse IDO1 transfected in P815 cells assessed as reduction in L-Kyn level measured after 16 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514757 (CHEMBL4466117) Show SMILES Brc1ccc(cc1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C22H18BrN3O/c23-19-10-8-18(9-11-19)22(27)24-13-16-4-3-5-17(12-16)14-26-15-25-20-6-1-2-7-21(20)26/h1-12,15H,13-14H2,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514760 (CHEMBL4448402) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C24H20N4O/c29-24(22-13-19-8-1-2-9-20(19)27-22)25-14-17-6-5-7-18(12-17)15-28-16-26-21-10-3-4-11-23(21)28/h1-13,16,27H,14-15H2,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human DAN-G cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514762 (CHEMBL4531545) Show SMILES Cc1ccc(cc1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C23H21N3O/c1-17-9-11-20(12-10-17)23(27)24-14-18-5-4-6-19(13-18)15-26-16-25-21-7-2-3-8-22(21)26/h2-13,16H,14-15H2,1H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	327	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514761 (CHEMBL4472707) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C23H19N5O/c29-23(22-26-18-8-1-2-9-19(18)27-22)24-13-16-6-5-7-17(12-16)14-28-15-25-20-10-3-4-11-21(20)28/h1-12,15H,13-14H2,(H,24,29)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	407	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514754 (CHEMBL4588288) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1cc2ccccc2o1 Show InChI InChI=1S/C24H19N3O2/c28-24(23-13-19-8-1-4-11-22(19)29-23)25-14-17-6-5-7-18(12-17)15-27-16-26-20-9-2-3-10-21(20)27/h1-13,16H,14-15H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	413	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514758 (CHEMBL4451614) Show SMILES Clc1ccc(cc1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C22H18ClN3O/c23-19-10-8-18(9-11-19)22(27)24-13-16-4-3-5-17(12-16)14-26-15-25-20-6-1-2-7-21(20)26/h1-12,15H,13-14H2,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	477	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514753 (CHEMBL4557994) Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	605	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human DAN-G cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514755 (CHEMBL4443904) Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C25H22N4O/c1-17-9-10-21-20(11-17)13-23(28-21)25(30)26-14-18-5-4-6-19(12-18)15-29-16-27-22-7-2-3-8-24(22)29/h2-13,16,28H,14-15H2,1H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	636	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514756 (CHEMBL4439258) Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C24H20N4O2/c29-19-8-9-20-18(11-19)12-22(27-20)24(30)25-13-16-4-3-5-17(10-16)14-28-15-26-21-6-1-2-7-23(21)28/h1-12,15,27,29H,13-14H2,(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	781	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514763 (CHEMBL4457663) Show SMILES Fc1ccc(cc1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C22H18FN3O/c23-19-10-8-18(9-11-19)22(27)24-13-16-4-3-5-17(12-16)14-26-15-25-20-6-1-2-7-21(20)26/h1-12,15H,13-14H2,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	961	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514752 (CHEMBL4458549) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1ccc(cc1)C#N Show InChI InChI=1S/C23H18N4O/c24-13-17-8-10-20(11-9-17)23(28)25-14-18-4-3-5-19(12-18)15-27-16-26-21-6-1-2-7-22(21)27/h1-12,16H,14-15H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human DAN-G cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Mus musculus)	BDBM50514753 (CHEMBL4557994) Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of mouse TDO transfected in P815 cells assessed as reduction in L-Kyn level measured after 16 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Mus musculus)	BDBM50514760 (CHEMBL4448402) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C24H20N4O/c29-24(22-13-19-8-1-2-9-20(19)27-22)25-14-17-6-5-7-18(12-17)15-28-16-26-21-10-3-4-11-23(21)28/h1-13,16,27H,14-15H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of mouse TDO transfected in P815 cells assessed as reduction in L-Kyn level measured after 16 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Mus musculus)	BDBM50514752 (CHEMBL4458549) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1ccc(cc1)C#N Show InChI InChI=1S/C23H18N4O/c24-13-17-8-10-20(11-9-17)23(28)25-14-18-4-3-5-19(12-18)15-27-16-26-21-6-1-2-7-22(21)27/h1-12,16H,14-15H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of mouse TDO transfected in P815 cells assessed as reduction in L-Kyn level measured after 16 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514753 (CHEMBL4557994) Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Binding affinity to NT650-NHS fluorophore-labeled recombinant human N-terminal His-tagged IDO1 expressed in Escherichia coli measured after 10 mins b...				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50126143 (Epacadostat | INCB-024360) Show SMILES NS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	3.46E+3	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Binding affinity to NT650-NHS fluorophore-labeled recombinant human N-terminal His-tagged IDO1 expressed in Escherichia coli measured after 10 mins b...				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair				3D Structure (crystal)