Compile Data Set for Download or QSAR

Found 311 hits of ec50 data for polymerid = 2230   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM168435 (US9675571, 129) Show SMILES CC(C)CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1cc(C)no1)[C@H]1C[C@H]1C(O)=O |r| Show InChI InChI=1S/C25H34N4O4/c1-15(2)14-29(18-7-5-4-6-8-18)22-10-9-17(19-13-20(19)24(30)31)12-21(22)26-25(32)27-23-11-16(3)28-33-23/h9-12,15,18-20H,4-8,13-14H2,1-3H3,(H,30,31)(H2,26,27,32)/t19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	25
SRMLSC US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9675571 (2017) BindingDB Entry DOI: 10.7270/Q2BK19HD
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM168360 (US9675571, 34) Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cc(no1)C1CC1)[C@H]1C[C@H]1C(O)=O |r| Show InChI InChI=1S/C25H34N4O4/c1-14(2)12-29(13-15(3)4)22-8-7-17(18-10-19(18)24(30)31)9-21(22)26-25(32)27-23-11-20(28-33-23)16-5-6-16/h7-9,11,14-16,18-19H,5-6,10,12-13H2,1-4H3,(H,30,31)(H2,26,27,32)/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	25
SRMLSC US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9675571 (2017) BindingDB Entry DOI: 10.7270/Q2BK19HD
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM168315 (US9675571, ent-1J) Show SMILES COC(=O)C1CC1c1ccc(N(CC(C)C)CC(C)C)c(c1)[N+]([O-])=O Show InChI InChI=1S/C19H28N2O4/c1-12(2)10-20(11-13(3)4)17-7-6-14(8-18(17)21(23)24)15-9-16(15)19(22)25-5/h6-8,12-13,15-16H,9-11H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	25
SRMLSC US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9675571 (2017) BindingDB Entry DOI: 10.7270/Q2BK19HD
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM168358 (US9675571, 31) Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cc(C)no1)[C@@H]1C[C@@H]1C(O)=O |r| Show InChI InChI=1S/C23H32N4O4/c1-13(2)11-27(12-14(3)4)20-7-6-16(17-10-18(17)22(28)29)9-19(20)24-23(30)25-21-8-15(5)26-31-21/h6-9,13-14,17-18H,10-12H2,1-5H3,(H,28,29)(H2,24,25,30)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	25
SRMLSC US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9675571 (2017) BindingDB Entry DOI: 10.7270/Q2BK19HD
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM168337 (US9675571, 30) Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cc(C)no1)[C@H]1C[C@H]1C(O)=O |r| Show InChI InChI=1S/C23H32N4O4/c1-13(2)11-27(12-14(3)4)20-7-6-16(17-10-18(17)22(28)29)9-19(20)24-23(30)25-21-8-15(5)26-31-21/h6-9,13-14,17-18H,10-12H2,1-5H3,(H,28,29)(H2,24,25,30)/t17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	25
SRMLSC US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9675571 (2017) BindingDB Entry DOI: 10.7270/Q2BK19HD
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM168378 (US9675571, 37) Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cc(no1)C(F)(F)F)[C@@H]1C[C@@H]1C(O)=O |r| Show InChI InChI=1S/C23H29F3N4O4/c1-12(2)10-30(11-13(3)4)18-6-5-14(15-8-16(15)21(31)32)7-17(18)27-22(33)28-20-9-19(29-34-20)23(24,25)26/h5-7,9,12-13,15-16H,8,10-11H2,1-4H3,(H,31,32)(H2,27,28,33)/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	25
SRMLSC US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9675571 (2017) BindingDB Entry DOI: 10.7270/Q2BK19HD
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM168377 (US9675571, 36) Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cc(no1)C(F)(F)F)[C@H]1C[C@H]1C(O)=O |r| Show InChI InChI=1S/C23H29F3N4O4/c1-12(2)10-30(11-13(3)4)18-6-5-14(15-8-16(15)21(31)32)7-17(18)27-22(33)28-20-9-19(29-34-20)23(24,25)26/h5-7,9,12-13,15-16H,8,10-11H2,1-4H3,(H,31,32)(H2,27,28,33)/t15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	25
SRMLSC US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9675571 (2017) BindingDB Entry DOI: 10.7270/Q2BK19HD
					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	n/a	8	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as reduction in kynurenine formation using L-tryptophan as substrate incubated f...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127038 BindingDB Entry DOI: 10.7270/Q2D79G0Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM168314 (US9675571, 1J) Show SMILES COC(=O)[C@H]1C[C@H]1c1ccc(N(CC(C)C)CC(C)C)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C19H28N2O4/c1-12(2)10-20(11-13(3)4)17-7-6-14(8-18(17)21(23)24)15-9-16(15)19(22)25-5/h6-8,12-13,15-16H,9-11H2,1-5H3/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	25
SRMLSC US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9675571 (2017) BindingDB Entry DOI: 10.7270/Q2BK19HD
					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	n/a	8.70	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of human IDO1 expressed in HEK293 cells assessed as reduction in kynurenine production after 30 mins				ACS Med Chem Lett 9: 131-136 (2018) Article DOI: 10.1021/acsmedchemlett.7b00488 BindingDB Entry DOI: 10.7270/Q2FR0041
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50046104 (CHEMBL3310297) Show SMILES O=S(=O)(CCc1ccccc1)NNc1ccccc1 Show InChI InChI=1S/C14H16N2O2S/c17-19(18,12-11-13-7-3-1-4-8-13)16-15-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2	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	n/a	n/a	>10	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of IDO in human HeLa cells after 24 hrs by spectrophotometry				Bioorg Med Chem Lett 24: 3403-6 (2014) Article DOI: 10.1016/j.bmcl.2014.05.084 BindingDB Entry DOI: 10.7270/Q23R0VH6
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50545137 (CHEMBL4644903 | US11591301, Compound 1) Show SMILES NS(=O)(=O)CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C11H12BrFN6O4S/c12-7-5-6(1-2-8(7)13)16-11(17-20)9-10(19-23-18-9)15-3-4-24(14,21)22/h1-2,5,20H,3-4H2,(H,15,19)(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	n/a	n/a	11	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as reduction in kynurenine formation using L-tryptophan as substrate incubated f...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127038 BindingDB Entry DOI: 10.7270/Q2D79G0Z
					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	n/a	13	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IFNgamma-stimulated IDO1 in human HeLa cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM526970 (5-(3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridin 7-...) Show SMILES Fc1ccc(NC(=O)c2cc(ccc2C(F)(F)F)-c2cccc3c(cnn23)-c2cccc(F)c2F)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
TBA					Assay Description To measure IDO1 inhibition in tissue culture, HeLa cells were treated with a test compound in the presence of IFNγ, which induces IDO1 expressio...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ146J
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM526969 (5-(1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5- ...) Show SMILES Fc1ccc(NC(=O)c2cc(ccc2C(F)(F)F)-c2cccc3c(ncn23)-c2cccc(F)c2F)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
TBA					Assay Description To measure IDO1 inhibition in tissue culture, HeLa cells were treated with a test compound in the presence of IFNγ, which induces IDO1 expressio...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ146J
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM526968 (5-(3-(2,3-difluorophenyl)imidazo[1,2- b]pyridazin-...) Show SMILES Cc1ccc(cc1C(=O)Nc1ccc(F)cc1)-c1ccnn2c(cnc12)-c1cccc(F)c1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
TBA					Assay Description To measure IDO1 inhibition in tissue culture, HeLa cells were treated with a test compound in the presence of IFNγ, which induces IDO1 expressio...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ146J
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50545146 (CHEMBL4639448 | US11591301, Compound 21) Show SMILES NS(=O)(=O)CCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C12H14BrFN6O4S/c13-8-6-7(2-3-9(8)14)17-12(18-21)10-11(20-24-19-10)16-4-1-5-25(15,22)23/h2-3,6,21H,1,4-5H2,(H,16,20)(H,17,18)(H2,15,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as reduction in kynurenine formation using L-tryptophan as substrate incubated f...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127038 BindingDB Entry DOI: 10.7270/Q2D79G0Z
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50545138 (CHEMBL4645780 | US11591301, Compound 15) Show SMILES CN(C)S(=O)(=O)CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C13H16BrFN6O4S/c1-21(2)26(23,24)6-5-16-12-11(19-25-20-12)13(18-22)17-8-3-4-10(15)9(14)7-8/h3-4,7,22H,5-6H2,1-2H3,(H,16,20)(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as reduction in kynurenine formation using L-tryptophan as substrate incubated f...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127038 BindingDB Entry DOI: 10.7270/Q2D79G0Z
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM526967 (5-(3-chloro-1-(2,3-difluorophenyl)imidazo[1,5- a]p...) Show SMILES Fc1ccc(NC(=O)c2cc(ccc2C(F)(F)F)-c2cccc3c(nc(Cl)n23)-c2cccc(F)c2F)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
TBA					Assay Description To measure IDO1 inhibition in tissue culture, HeLa cells were treated with a test compound in the presence of IFNγ, which induces IDO1 expressio...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ146J
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50545147 (CHEMBL4642406) Show SMILES CN(C)S(=O)(=O)CCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C14H18BrFN6O4S/c1-22(2)27(24,25)7-3-6-17-13-12(20-26-21-13)14(19-23)18-9-4-5-11(16)10(15)8-9/h4-5,8,23H,3,6-7H2,1-2H3,(H,17,21)(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as reduction in kynurenine formation using L-tryptophan as substrate incubated f...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127038 BindingDB Entry DOI: 10.7270/Q2D79G0Z
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM526966 (N-(4-fluorophenyl)-5-(3-(pyridin-3- yl)imidazo[1,2...) Show SMILES Fc1ccc(NC(=O)c2cc(ccc2C(F)(F)F)-c2ccnn3c(cnc23)-c2cccnc2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
TBA					Assay Description To measure IDO1 inhibition in tissue culture, HeLa cells were treated with a test compound in the presence of IFNγ, which induces IDO1 expressio...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ146J
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM168399 (US9675571, 60) Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Cc1ccc(C)cc1)[C@H]1C[C@H]1C(O)=O |r| Show InChI InChI=1S/C27H36N2O3/c1-17(2)15-29(16-18(3)4)25-11-10-21(22-14-23(22)27(31)32)13-24(25)28-26(30)12-20-8-6-19(5)7-9-20/h6-11,13,17-18,22-23H,12,14-16H2,1-5H3,(H,28,30)(H,31,32)/t22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	25
SRMLSC US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9675571 (2017) BindingDB Entry DOI: 10.7270/Q2BK19HD
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM168413 (US9675571, 67) Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cc(C)on1)C1C[C@@H]1C(O)=O |r| Show InChI InChI=1S/C23H32N4O4/c1-13(2)11-27(12-14(3)4)20-7-6-16(17-10-18(17)22(28)29)9-19(20)24-23(30)25-21-8-15(5)31-26-21/h6-9,13-14,17-18H,10-12H2,1-5H3,(H,28,29)(H2,24,25,26,30)/t17?,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	25
SRMLSC US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9675571 (2017) BindingDB Entry DOI: 10.7270/Q2BK19HD
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM526965 (5-(3-(2,3-difluorophenyl)imidazo[1,2- b]pyridazin-...) Show SMILES Fc1ccc(NC(=O)c2cc(ccc2C(F)(F)F)-c2ccnn3c(cnc23)-c2cccc(F)c2F)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
TBA					Assay Description To measure IDO1 inhibition in tissue culture, HeLa cells were treated with a test compound in the presence of IFNγ, which induces IDO1 expressio...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ146J
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50545148 (CHEMBL4637369) Show SMILES NS(=O)(=O)CCONc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C11H12BrFN6O5S/c12-7-5-6(1-2-8(7)13)15-10(16-20)9-11(19-24-17-9)18-23-3-4-25(14,21)22/h1-2,5,20H,3-4H2,(H,15,16)(H,18,19)(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	n/a	n/a	27	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as reduction in kynurenine formation using L-tryptophan as substrate incubated f...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127038 BindingDB Entry DOI: 10.7270/Q2D79G0Z
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584087 (CHEMBL5093619) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2ccc(cc2)C#N)cs1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incu...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50145159 (CHEMBL3765205) Show SMILES FC1(F)C(=O)Nc2ccc(cc12)S(=O)(=O)NNc1ccc(Br)cc1 Show InChI InChI=1S/C14H10BrF2N3O3S/c15-8-1-3-9(4-2-8)19-20-24(22,23)10-5-6-12-11(7-10)14(16,17)13(21)18-12/h1-7,19-20H,(H,18,21)	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	n/a	n/a	31	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Indoleamine 2,3-dioxygenase in human HeLa cells in presence of L-tryptophan as substrate after 24 hrs in presence of L-tryptophan				J Med Chem 59: 419-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01640 BindingDB Entry DOI: 10.7270/Q2FF3V69
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584085 (CHEMBL5074542) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1ccc(CNC(=O)Nc2ccc(cc2)C#N)s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incu...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50545142 (CHEMBL4646789) Show SMILES O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCS(=O)(=O)NCC#C Show InChI InChI=1S/C14H14BrFN6O4S/c1-2-5-18-27(24,25)7-6-17-13-12(21-26-22-13)14(20-23)19-9-3-4-11(16)10(15)8-9/h1,3-4,8,18,23H,5-7H2,(H,17,22)(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	n/a	n/a	33	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as reduction in kynurenine formation using L-tryptophan as substrate incubated f...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127038 BindingDB Entry DOI: 10.7270/Q2D79G0Z
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50145160 (CHEMBL3764846) Show SMILES CC1(C)C(=O)Nc2ccc(cc12)S(=O)(=O)NNc1ccc(Br)cc1 Show InChI InChI=1S/C16H16BrN3O3S/c1-16(2)13-9-12(7-8-14(13)18-15(16)21)24(22,23)20-19-11-5-3-10(17)4-6-11/h3-9,19-20H,1-2H3,(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Indoleamine 2,3-dioxygenase in human HeLa cells in presence of L-tryptophan as substrate after 24 hrs in presence of L-tryptophan				J Med Chem 59: 419-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01640 BindingDB Entry DOI: 10.7270/Q2FF3V69
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM526964 (5-(3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8- ...) Show SMILES Fc1ccc(NC(=O)c2cc(ccc2C(F)(F)F)-c2cccn3c(cnc23)-c2cccc(F)c2F)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
TBA					Assay Description To measure IDO1 inhibition in tissue culture, HeLa cells were treated with a test compound in the presence of IFNγ, which induces IDO1 expressio...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ146J
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM526963 (5-(3-(2,3-difluorophenyl)-2- (hydroxymethyl)imidaz...) Show SMILES OCc1nc2c(cccn2c1-c1cccc(F)c1F)-c1ccc(c(c1)C(=O)Nc1ccc(F)cc1)C(F)(F)F |(-3.4,28.78,;-4.17,27.44,;-5.71,27.44,;-6.61,28.69,;-8.08,28.21,;-9.41,28.98,;-10.75,28.21,;-10.75,26.67,;-9.41,25.9,;-8.08,26.67,;-6.61,26.2,;-6.21,24.71,;-7.3,23.62,;-6.9,22.13,;-5.42,21.73,;-4.33,22.82,;-2.84,22.43,;-4.73,24.31,;-3.64,25.4,;-9.41,30.52,;-10.75,31.29,;-10.75,32.83,;-9.41,33.6,;-8.08,32.83,;-8.08,31.29,;-6.74,33.6,;-6.74,35.14,;-5.41,32.83,;-4.08,33.6,;-2.74,32.83,;-1.41,33.6,;-1.41,35.14,;-.08,35.91,;-2.74,35.91,;-4.08,35.14,;-9.41,35.14,;-10.75,35.91,;-8.08,35.91,;-9.41,36.68,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
TBA					Assay Description To measure IDO1 inhibition in tissue culture, HeLa cells were treated with a test compound in the presence of IFNγ, which induces IDO1 expressio...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ146J
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584084 (CHEMBL5080101) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1ccc(CNC(=O)Nc2ccc(F)cc2)s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incu...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50545140 (CHEMBL4644666 | US11591301, Compound 3) Show SMILES CCNS(=O)(=O)CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C13H16BrFN6O4S/c1-2-17-26(23,24)6-5-16-12-11(20-25-21-12)13(19-22)18-8-3-4-10(15)9(14)7-8/h3-4,7,17,22H,2,5-6H2,1H3,(H,16,21)(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	41	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as reduction in kynurenine formation using L-tryptophan as substrate incubated f...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127038 BindingDB Entry DOI: 10.7270/Q2D79G0Z
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM526962 (5-(3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8- ...) Show SMILES Cc1ccc(cc1C(=O)Nc1ccc(F)cc1)-c1cccn2c(cnc12)-c1cccc(F)c1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	45	n/a	n/a	n/a	n/a
TBA					Assay Description To measure IDO1 inhibition in tissue culture, HeLa cells were treated with a test compound in the presence of IFNγ, which induces IDO1 expressio...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ146J
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50203249 (CHEMBL3945146) Show SMILES Cc1n[nH]c2Oc3[nH]nc(N)c3C(c12)c1ccc(F)c(F)c1 Show InChI InChI=1S/C14H11F2N5O/c1-5-9-10(6-2-3-7(15)8(16)4-6)11-12(17)19-21-14(11)22-13(9)20-18-5/h2-4,10H,1H3,(H,18,20)(H3,17,19,21)	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	n/a	n/a	48	n/a	n/a	n/a	n/a
Indian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-induced human MDA-MB-231 cells using tryptophan as substrate preincubated for 4 hrs followed by substrate addition for...				ACS Med Chem Lett 7: 1167-1172 (2016) Article DOI: 10.1021/acsmedchemlett.6b00359 BindingDB Entry DOI: 10.7270/Q2TF009K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584073 (CHEMBL5081219) Show SMILES O\N=C(/Nc1ccc(F)c(Cl)c1)c1cnc(Cl)s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	48	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incu...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50203269 (CHEMBL3913434) Show SMILES Cc1n[nH]c2Oc3[nH]nc(C)c3C(c12)c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C15H12ClFN4O/c1-6-11-13(8-3-4-10(17)9(16)5-8)12-7(2)19-21-15(12)22-14(11)20-18-6/h3-5,13H,1-2H3,(H,18,20)(H,19,21)	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	n/a	n/a	52	n/a	n/a	n/a	n/a
Indian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-induced human MDA-MB-231 cells using tryptophan as substrate preincubated for 4 hrs followed by substrate addition for...				ACS Med Chem Lett 7: 1167-1172 (2016) Article DOI: 10.1021/acsmedchemlett.6b00359 BindingDB Entry DOI: 10.7270/Q2TF009K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50203281 (CHEMBL3971895) Show SMILES Clc1cccc(c1)-c1c(C#N)c(=O)[nH]c2[nH]c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C14H7ClN4O3/c15-7-3-1-2-6(4-7)9-8(5-16)12(20)17-11-10(9)13(21)19-14(22)18-11/h1-4H,(H3,17,18,19,20,21,22)	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	n/a	n/a	52	n/a	n/a	n/a	n/a
Indian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-induced human MDA-MB-231 cells using tryptophan as substrate preincubated for 4 hrs followed by substrate addition for...				ACS Med Chem Lett 7: 1167-1172 (2016) Article DOI: 10.1021/acsmedchemlett.6b00359 BindingDB Entry DOI: 10.7270/Q2TF009K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50545136 (CHEMBL4639516) Show SMILES O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NC1CS(=N)(=O)C1 Show InChI InChI=1S/C12H12BrFN6O3S/c13-8-3-6(1-2-9(8)14)16-11(18-21)10-12(20-23-19-10)17-7-4-24(15,22)5-7/h1-3,7,15,21H,4-5H2,(H,16,18)(H,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	53	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as reduction in kynurenine formation using L-tryptophan as substrate incubated f...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127038 BindingDB Entry DOI: 10.7270/Q2D79G0Z
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584076 (CHEMBL5083059) Show SMILES Cc1ccc(s1)C(\Nc1cccc(Br)c1)=N\O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	54	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incu...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50138819 (CHEMBL3753837 | US10233190, Example 1357) Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C1CCCCC1 Show InChI InChI=1S/C18H21FN2O/c19-14-8-4-7-13-16-10-20-11-21(16)15(18(13)14)9-17(22)12-5-2-1-3-6-12/h4,7-8,10-12,15,17,22H,1-3,5-6,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells incubated for 24 hrs				J Med Chem 59: 282-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01390 BindingDB Entry DOI: 10.7270/Q28917QW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM526961 (N-(4-fluorophenyl)-5-(3-(5-fluoropyridin-3- yl)imi...) Show SMILES Fc1ccc(NC(=O)c2cc(ccc2C(F)(F)F)-c2cccn3c(cnc23)-c2cncc(F)c2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	58	n/a	n/a	n/a	n/a
TBA					Assay Description To measure IDO1 inhibition in tissue culture, HeLa cells were treated with a test compound in the presence of IFNγ, which induces IDO1 expressio...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ146J
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM370526 (4-(1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5- yl)et...) Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C24H26N4O2/c29-23(14-21-19-8-4-5-9-20(19)22-15-25-16-28(21)22)17-10-12-27(13-11-17)24(30)26-18-6-2-1-3-7-18/h1-9,15-17,21,23,29H,10-14H2,(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	n/a	n/a	59	n/a	n/a	n/a	n/a
NewLink Genetics Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in T-REx-293 cells assessed as reduction in kynurenine level measured after 16 hrs				J Med Chem 62: 6705-6733 (2019) Article DOI: 10.1021/acs.jmedchem.9b00662 BindingDB Entry DOI: 10.7270/Q21G0QNZ
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM526960 (N-(4-fluorophenyl)-5-(3-(pyridin-3- yl)imidazo[1,2...) Show SMILES Fc1ccc(NC(=O)c2cc(ccc2C(F)(F)F)-c2cccn3c(cnc23)-c2cccnc2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	59	n/a	n/a	n/a	n/a
TBA					Assay Description To measure IDO1 inhibition in tissue culture, HeLa cells were treated with a test compound in the presence of IFNγ, which induces IDO1 expressio...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ146J
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584082 (CHEMBL5094486) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1ccc(CNC(=O)Nc2ccccc2F)s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	59	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incu...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50545135 (CHEMBL4645599) Show SMILES O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NC1CS(=O)(=O)C1 Show InChI InChI=1S/C12H11BrFN5O4S/c13-8-3-6(1-2-9(8)14)15-11(17-20)10-12(19-23-18-10)16-7-4-24(21,22)5-7/h1-3,7,20H,4-5H2,(H,15,17)(H,16,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	59	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as reduction in kynurenine formation using L-tryptophan as substrate incubated f...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127038 BindingDB Entry DOI: 10.7270/Q2D79G0Z
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50300305 (4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...) Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Cl)c1 |w:9.10| 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 Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	59	n/a	n/a	n/a	n/a
Indian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-induced human MDA-MB-231 cells using tryptophan as substrate preincubated for 4 hrs followed by substrate addition for...				ACS Med Chem Lett 7: 1167-1172 (2016) Article DOI: 10.1021/acsmedchemlett.6b00359 BindingDB Entry DOI: 10.7270/Q2TF009K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584075 (CHEMBL5076745) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1ccc(Cl)s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incu...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50126144 (CHEMBL3629569 | US10155972, Compound NewLink 1 | U...) Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCCCC1 Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	61	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells incubated for 24 hrs				J Med Chem 59: 282-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01390 BindingDB Entry DOI: 10.7270/Q28917QW
					More data for this Ligand-Target Pair				3D Structure (crystal)

Displayed 1 to 50 (of 311 total )  |  Next  |  Last  >>

Jump to: