Compile Data Set for Download or QSAR

Found 64 hits Enz. Inhib. hit(s) with all data for entry = 50007461   

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))	BDBM427470 (US10538497, Example 3) Show SMILES NS(=O)(=O)NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C11H12BrFN6O4S2/c12-7-5-6(1-2-8(7)13)16-10(17-20)9-11(19-23-18-9)24-4-3-15-25(14,21)22/h1-2,5,15,20H,3-4H2,(H,16,17)(H2,14,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509644 (CHEMBL4538516) Show SMILES O\N=C(/Nc1ccc(F)c(c1)C(F)F)c1nonc1SCCNC(=O)CC#N Show InChI InChI=1S/C15H13F3N6O3S/c16-10-2-1-8(7-9(10)13(17)18)21-14(22-26)12-15(24-27-23-12)28-6-5-20-11(25)3-4-19/h1-2,7,13,26H,3,5-6H2,(H,20,25)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509629 (CHEMBL4436560) Show SMILES CS(=O)(=O)CCC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C15H17BrFN5O5S2/c1-29(25,26)7-4-12(23)18-5-6-28-15-13(21-27-22-15)14(20-24)19-9-2-3-11(17)10(16)8-9/h2-3,8,24H,4-7H2,1H3,(H,18,23)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					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	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509636 (CHEMBL4441030) Show SMILES NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1cccc(Br)c1)=N\O Show InChI InChI=1S/C13H15BrN6O5S2/c14-8-2-1-3-9(6-8)17-12(18-22)11-13(20-25-19-11)26-5-4-16-10(21)7-27(15,23)24/h1-3,6,22H,4-5,7H2,(H,16,21)(H,17,18)(H2,15,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509633 (CHEMBL4521926) Show SMILES CC(C)(O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)F)=N\O Show InChI InChI=1S/C17H20F3N5O4S/c1-17(2,27)8-12(26)21-5-6-30-16-13(24-29-25-16)15(23-28)22-9-3-4-11(18)10(7-9)14(19)20/h3-4,7,14,27-28H,5-6,8H2,1-2H3,(H,21,26)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509638 (CHEMBL4533342) Show SMILES CS(=O)(=O)NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C12H13BrFN5O4S2/c1-25(21,22)15-4-5-24-12-10(18-23-19-12)11(17-20)16-7-2-3-9(14)8(13)6-7/h2-3,6,15,20H,4-5H2,1H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509623 (CHEMBL4585089) Show SMILES NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1cccc(Cl)c1)=N\O Show InChI InChI=1S/C13H15ClN6O5S2/c14-8-2-1-3-9(6-8)17-12(18-22)11-13(20-25-19-11)26-5-4-16-10(21)7-27(15,23)24/h1-3,6,22H,4-5,7H2,(H,16,21)(H,17,18)(H2,15,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509628 (CHEMBL4434929) Show SMILES C[C@H](CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)NC(=O)CS(N)(=O)=O |r| Show InChI InChI=1S/C14H16BrFN6O5S2/c1-7(18-11(23)6-29(17,25)26)5-28-14-12(21-27-22-14)13(20-24)19-8-2-3-10(16)9(15)4-8/h2-4,7,24H,5-6H2,1H3,(H,18,23)(H,19,20)(H2,17,25,26)/t7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509630 (CHEMBL4448442) Show SMILES NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C13H14BrFN6O5S2/c14-8-5-7(1-2-9(8)15)18-12(19-23)11-13(21-26-20-11)27-4-3-17-10(22)6-28(16,24)25/h1-2,5,23H,3-4,6H2,(H,17,22)(H,18,19)(H2,16,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509637 (CHEMBL4449948) Show SMILES NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1cccc(c1)C(F)(F)F)=N\O Show InChI InChI=1S/C14H15F3N6O5S2/c15-14(16,17)8-2-1-3-9(6-8)20-12(21-25)11-13(23-28-22-11)29-5-4-19-10(24)7-30(18,26)27/h1-3,6,25H,4-5,7H2,(H,19,24)(H,20,21)(H2,18,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM430022 (US10538497, Example 212) Show SMILES NS(=O)(=O)NCCOc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C11H12BrFN6O5S/c12-7-5-6(1-2-8(7)13)16-10(17-20)9-11(19-24-18-9)23-4-3-15-25(14,21)22/h1-2,5,15,20H,3-4H2,(H,16,17)(H2,14,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509641 (CHEMBL4455438) Show SMILES NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)F)=N\O Show InChI InChI=1S/C14H15F3N6O5S2/c15-9-2-1-7(5-8(9)12(16)17)20-13(21-25)11-14(23-28-22-11)29-4-3-19-10(24)6-30(18,26)27/h1-2,5,12,25H,3-4,6H2,(H,19,24)(H,20,21)(H2,18,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509639 (CHEMBL4439896) Show SMILES NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)(F)F)=N\O Show InChI InChI=1S/C14H14F4N6O5S2/c15-9-2-1-7(5-8(9)14(16,17)18)21-12(22-26)11-13(24-29-23-11)30-4-3-20-10(25)6-31(19,27)28/h1-2,5,26H,3-4,6H2,(H,20,25)(H,21,22)(H2,19,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509634 (CHEMBL4437616) Show SMILES O\N=C(/Nc1ccc(F)c(c1)C(F)F)c1nonc1SCCNC(=O)C1CS(=O)(=O)C1 Show InChI InChI=1S/C16H16F3N5O5S2/c17-11-2-1-9(5-10(11)13(18)19)21-14(22-26)12-16(24-29-23-12)30-4-3-20-15(25)8-6-31(27,28)7-8/h1-2,5,8,13,26H,3-4,6-7H2,(H,20,25)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50235921 (CHEMBL584991) Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509643 (CHEMBL4578545) Show SMILES CS(=N)(=O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C14H16BrFN6O4S2/c1-28(17,25)7-11(23)18-4-5-27-14-12(21-26-22-14)13(20-24)19-8-2-3-10(16)9(15)6-8/h2-3,6,17,24H,4-5,7H2,1H3,(H,18,23)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509632 (CHEMBL4441246) Show SMILES CS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)F)=N\O Show InChI InChI=1S/C15H16F3N5O5S2/c1-30(26,27)7-11(24)19-4-5-29-15-12(22-28-23-15)14(21-25)20-8-2-3-10(16)9(6-8)13(17)18/h2-3,6,13,25H,4-5,7H2,1H3,(H,19,24)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509625 (CHEMBL4573030) Show SMILES CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C10H8BrFN4O2S/c1-19-10-8(15-18-16-10)9(14-17)13-5-2-3-7(12)6(11)4-5/h2-4,17H,1H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509624 (CHEMBL4533432) Show SMILES CC1(CCN1)C(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)F)=N\O Show InChI InChI=1S/C17H19F3N6O3S/c1-17(4-5-22-17)16(27)21-6-7-30-15-12(25-29-26-15)14(24-28)23-9-2-3-11(18)10(8-9)13(19)20/h2-3,8,13,22,28H,4-7H2,1H3,(H,21,27)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509627 (CHEMBL4475499) Show SMILES NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1cccc(c1)C(F)F)=N\O Show InChI InChI=1S/C14H16F2N6O5S2/c15-12(16)8-2-1-3-9(6-8)19-13(20-24)11-14(22-27-21-11)28-5-4-18-10(23)7-29(17,25)26/h1-3,6,12,24H,4-5,7H2,(H,18,23)(H,19,20)(H2,17,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509631 (CHEMBL4451194) Show SMILES C[C@@H](CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)NC(=O)CS(N)(=O)=O |r| Show InChI InChI=1S/C14H16BrFN6O5S2/c1-7(18-11(23)6-29(17,25)26)5-28-14-12(21-27-22-14)13(20-24)19-8-2-3-10(16)9(15)4-8/h2-4,7,24H,5-6H2,1H3,(H,18,23)(H,19,20)(H2,17,25,26)/t7-/m0/s1	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
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509623 (CHEMBL4585089) Show SMILES NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1cccc(Cl)c1)=N\O Show InChI InChI=1S/C13H15ClN6O5S2/c14-8-2-1-3-9(6-8)17-12(18-22)11-13(20-25-19-11)26-5-4-16-10(21)7-27(15,23)24/h1-3,6,22H,4-5,7H2,(H,16,21)(H,17,18)(H2,15,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509626 (CHEMBL4549976) Show SMILES NS(=O)(=O)NCC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)F)=N\O Show InChI InChI=1S/C14H16F3N7O5S2/c15-9-2-1-7(5-8(9)12(16)17)21-13(22-26)11-14(24-29-23-11)30-4-3-19-10(25)6-20-31(18,27)28/h1-2,5,12,20,26H,3-4,6H2,(H,19,25)(H,21,22)(H2,18,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509636 (CHEMBL4441030) Show SMILES NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1cccc(Br)c1)=N\O Show InChI InChI=1S/C13H15BrN6O5S2/c14-8-2-1-3-9(6-8)17-12(18-22)11-13(20-25-19-11)26-5-4-16-10(21)7-27(15,23)24/h1-3,6,22H,4-5,7H2,(H,16,21)(H,17,18)(H2,15,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509640 (CHEMBL4545974) Show SMILES COc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C10H8BrFN4O3/c1-18-10-8(15-19-16-10)9(14-17)13-5-2-3-7(12)6(11)4-5/h2-4,17H,1H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509635 (CHEMBL4465837) Show SMILES NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C#N)=N\O Show InChI InChI=1S/C14H14FN7O5S2/c15-10-2-1-9(5-8(10)6-16)19-13(20-24)12-14(22-27-21-12)28-4-3-18-11(23)7-29(17,25)26/h1-2,5,24H,3-4,7H2,(H,18,23)(H,19,20)(H2,17,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509642 (CHEMBL4461796) Show SMILES NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1cccc(c1)C#N)=N\O Show InChI InChI=1S/C14H15N7O5S2/c15-7-9-2-1-3-10(6-9)18-13(19-23)12-14(21-26-20-12)27-5-4-17-11(22)8-28(16,24)25/h1-3,6,23H,4-5,8H2,(H,17,22)(H,18,19)(H2,16,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509643 (CHEMBL4578545) Show SMILES CS(=N)(=O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C14H16BrFN6O4S2/c1-28(17,25)7-11(23)18-4-5-27-14-12(21-26-22-14)13(20-24)19-8-2-3-10(16)9(15)6-8/h2-3,6,17,24H,4-5,7H2,1H3,(H,18,23)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509634 (CHEMBL4437616) Show SMILES O\N=C(/Nc1ccc(F)c(c1)C(F)F)c1nonc1SCCNC(=O)C1CS(=O)(=O)C1 Show InChI InChI=1S/C16H16F3N5O5S2/c17-11-2-1-9(5-10(11)13(18)19)21-14(22-26)12-16(24-29-23-12)30-4-3-20-15(25)8-6-31(27,28)7-8/h1-2,5,8,13,26H,3-4,6-7H2,(H,20,25)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509630 (CHEMBL4448442) Show SMILES NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C13H14BrFN6O5S2/c14-8-5-7(1-2-9(8)15)18-12(19-23)11-13(21-26-20-11)27-4-3-17-10(22)6-28(16,24)25/h1-2,5,23H,3-4,6H2,(H,17,22)(H,18,19)(H2,16,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509641 (CHEMBL4455438) Show SMILES NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)F)=N\O Show InChI InChI=1S/C14H15F3N6O5S2/c15-9-2-1-7(5-8(9)12(16)17)20-13(21-25)11-14(23-28-22-11)29-4-3-19-10(24)6-30(18,26)27/h1-2,5,12,25H,3-4,6H2,(H,19,24)(H,20,21)(H2,18,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					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	73	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509639 (CHEMBL4439896) Show SMILES NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)(F)F)=N\O Show InChI InChI=1S/C14H14F4N6O5S2/c15-9-2-1-7(5-8(9)14(16,17)18)21-12(22-26)11-13(24-29-23-11)30-4-3-20-10(25)6-31(19,27)28/h1-2,5,26H,3-4,6H2,(H,20,25)(H,21,22)(H2,19,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509631 (CHEMBL4451194) Show SMILES C[C@@H](CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)NC(=O)CS(N)(=O)=O |r| Show InChI InChI=1S/C14H16BrFN6O5S2/c1-7(18-11(23)6-29(17,25)26)5-28-14-12(21-27-22-14)13(20-24)19-8-2-3-10(16)9(15)4-8/h2-4,7,24H,5-6H2,1H3,(H,18,23)(H,19,20)(H2,17,25,26)/t7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509626 (CHEMBL4549976) Show SMILES NS(=O)(=O)NCC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)F)=N\O Show InChI InChI=1S/C14H16F3N7O5S2/c15-9-2-1-7(5-8(9)12(16)17)21-13(22-26)11-14(24-29-23-11)30-4-3-19-10(25)6-20-31(18,27)28/h1-2,5,12,20,26H,3-4,6H2,(H,19,25)(H,21,22)(H2,18,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509632 (CHEMBL4441246) Show SMILES CS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)F)=N\O Show InChI InChI=1S/C15H16F3N5O5S2/c1-30(26,27)7-11(24)19-4-5-29-15-12(22-28-23-15)14(21-25)20-8-2-3-10(16)9(6-8)13(17)18/h2-3,6,13,25H,4-5,7H2,1H3,(H,19,24)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509628 (CHEMBL4434929) Show SMILES C[C@H](CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)NC(=O)CS(N)(=O)=O |r| Show InChI InChI=1S/C14H16BrFN6O5S2/c1-7(18-11(23)6-29(17,25)26)5-28-14-12(21-27-22-14)13(20-24)19-8-2-3-10(16)9(15)4-8/h2-4,7,24H,5-6H2,1H3,(H,18,23)(H,19,20)(H2,17,25,26)/t7-/m1/s1	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
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM427470 (US10538497, Example 3) Show SMILES NS(=O)(=O)NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C11H12BrFN6O4S2/c12-7-5-6(1-2-8(7)13)16-10(17-20)9-11(19-23-18-9)24-4-3-15-25(14,21)22/h1-2,5,15,20H,3-4H2,(H,16,17)(H2,14,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509627 (CHEMBL4475499) Show SMILES NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1cccc(c1)C(F)F)=N\O Show InChI InChI=1S/C14H16F2N6O5S2/c15-12(16)8-2-1-3-9(6-8)19-13(20-24)11-14(22-27-21-11)28-5-4-18-10(23)7-29(17,25)26/h1-3,6,12,24H,4-5,7H2,(H,18,23)(H,19,20)(H2,17,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509629 (CHEMBL4436560) Show SMILES CS(=O)(=O)CCC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C15H17BrFN5O5S2/c1-29(25,26)7-4-12(23)18-5-6-28-15-13(21-27-22-15)14(20-24)19-9-2-3-11(17)10(16)8-9/h2-3,8,24H,4-7H2,1H3,(H,18,23)(H,19,20)	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
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509633 (CHEMBL4521926) Show SMILES CC(C)(O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)F)=N\O Show InChI InChI=1S/C17H20F3N5O4S/c1-17(2,27)8-12(26)21-5-6-30-16-13(24-29-25-16)15(23-28)22-9-3-4-11(18)10(7-9)14(19)20/h3-4,7,14,27-28H,5-6,8H2,1-2H3,(H,21,26)(H,22,23)	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
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509637 (CHEMBL4449948) Show SMILES NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1cccc(c1)C(F)(F)F)=N\O Show InChI InChI=1S/C14H15F3N6O5S2/c15-14(16,17)8-2-1-3-9(6-8)20-12(21-25)11-13(23-28-22-11)29-5-4-19-10(24)7-30(18,26)27/h1-3,6,25H,4-5,7H2,(H,19,24)(H,20,21)(H2,18,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509635 (CHEMBL4465837) Show SMILES NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C#N)=N\O Show InChI InChI=1S/C14H14FN7O5S2/c15-10-2-1-9(5-8(10)6-16)19-13(20-24)12-14(22-27-21-12)28-4-3-18-11(23)7-29(17,25)26/h1-2,5,24H,3-4,7H2,(H,18,23)(H,19,20)(H2,17,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM430022 (US10538497, Example 212) Show SMILES NS(=O)(=O)NCCOc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C11H12BrFN6O5S/c12-7-5-6(1-2-8(7)13)16-10(17-20)9-11(19-24-18-9)23-4-3-15-25(14,21)22/h1-2,5,15,20H,3-4H2,(H,16,17)(H2,14,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509644 (CHEMBL4538516) Show SMILES O\N=C(/Nc1ccc(F)c(c1)C(F)F)c1nonc1SCCNC(=O)CC#N Show InChI InChI=1S/C15H13F3N6O3S/c16-10-2-1-8(7-9(10)13(17)18)21-14(22-26)12-15(24-27-23-12)28-6-5-20-11(25)3-4-19/h1-2,7,13,26H,3,5-6H2,(H,20,25)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50235921 (CHEMBL584991) Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509623 (CHEMBL4585089) Show SMILES NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1cccc(Cl)c1)=N\O Show InChI InChI=1S/C13H15ClN6O5S2/c14-8-2-1-3-9(6-8)17-12(18-22)11-13(20-25-19-11)26-5-4-16-10(21)7-27(15,23)24/h1-3,6,22H,4-5,7H2,(H,16,21)(H,17,18)(H2,15,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition IDO1 in LPS/IFN-gamma stimulated human whole blood assessed as reduction in tryptophan/kynurenine level preincubated for 15 mins followed ...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509640 (CHEMBL4545974) Show SMILES COc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C10H8BrFN4O3/c1-18-10-8(15-19-16-10)9(14-17)13-5-2-3-7(12)6(11)4-5/h2-4,17H,1H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50509642 (CHEMBL4461796) Show SMILES NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1cccc(c1)C#N)=N\O Show InChI InChI=1S/C14H15N7O5S2/c15-7-9-2-1-3-10(6-9)18-13(19-23)12-14(21-26-20-12)27-5-4-17-11(22)8-28(16,24)25/h1-3,6,23H,4-5,8H2,(H,17,22)(H,18,19)(H2,16,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572 BindingDB Entry DOI: 10.7270/Q2GX4FWT
					More data for this Ligand-Target Pair

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