Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50046694   

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))	BDBM36371 (5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidaz...) Show SMILES CN1C(=S)NC(Cc2c[nH]c3ccccc23)C1=O Show InChI InChI=1S/C13H13N3OS/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,1H3,(H,15,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin)				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM21973 (1-Methyltryptophan, 1 | 2-amino-3-(1-methyl-1H-ind...) Show SMILES Cn1cc(CC(N)C(O)=O)c2ccccc12 Show InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin)				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50072081 (CHEMBL3407922) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(OC2CC2)c(Cl)c1 Show InChI InChI=1S/C14H11ClN2O3/c15-10-5-8(1-4-13(10)20-9-2-3-9)11-6-12(14(18)19)17-7-16-11/h1,4-7,9H,2-3H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of human KMO				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50126147 (CHEMBL3629571) Show SMILES OC(=O)C1CC1C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C11H8Cl2O3/c12-8-2-1-5(3-9(8)13)10(14)6-4-7(6)11(15)16/h1-3,6-7H,4H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of human KMO				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50061916 (3,4-Dimethoxy-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-...) Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C17H15N3O6S2/c1-25-15-7-6-13(9-16(15)26-2)28(23,24)19-17-18-14(10-27-17)11-4-3-5-12(8-11)20(21)22/h3-10H,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of human KMO				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					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	72	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin)				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kynurenine 3-monooxygenase (Saccharomyces cerevisiae (strain ATCC 204508 / S28...)	BDBM50126147 (CHEMBL3629571) Show SMILES OC(=O)C1CC1C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C11H8Cl2O3/c12-8-2-1-5(3-9(8)13)10(14)6-4-7(6)11(15)16/h1-3,6-7H,4H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of yeast KMO				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50289137 (6-Fluoro-3-((E)-2-pyridin-3-yl-vinyl)-1H-indole | ...) Show SMILES Fc1ccc2c(\C=C\c3cccnc3)c[nH]c2c1 Show InChI InChI=1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of human TDO				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50350248 (CHEMBL1812545) Show SMILES Fc1ccc2c(C=Cc3nnn[nH]3)c[nH]c2c1 |w:6.5| Show InChI InChI=1S/C11H8FN5/c12-8-2-3-9-7(6-13-10(9)5-8)1-4-11-14-16-17-15-11/h1-6,13H,(H,14,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of human TDO				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50061907 ((+/-)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric aci...) Show SMILES NC(CC(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C10H10N2O5/c11-8(10(14)15)5-9(13)6-2-1-3-7(4-6)12(16)17/h1-4,8H,5,11H2,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of human KMO				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50126145 (CHEMBL3629570) Show SMILES O=C(CC1c2ccccc2-c2cncn12)C1CCCCC1 Show InChI InChI=1S/C18H20N2O/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/h4-5,8-9,11-13,16H,1-3,6-7,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of TDO (unknown origin)				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of TDO (unknown origin)				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50126145 (CHEMBL3629570) Show SMILES O=C(CC1c2ccccc2-c2cncn12)C1CCCCC1 Show InChI InChI=1S/C18H20N2O/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/h4-5,8-9,11-13,16H,1-3,6-7,10H2	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	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of human IDO1				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					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	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of human IDO1				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Rattus norvegicus)	BDBM50324539 ((S)-(-)-9-(4-aminopiperazin-1-yl)-8-fluoro-3-methy...) Show SMILES C[C@H]1COc2c(N3CCN(N)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C17H19FN4O4/c1-9-8-26-16-13-10(15(23)11(17(24)25)7-22(9)13)6-12(18)14(16)20-2-4-21(19)5-3-20/h6-7,9H,2-5,8,19H2,1H3,(H,24,25)/t9-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of rat KAT-2				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Mus musculus)	BDBM50289137 (6-Fluoro-3-((E)-2-pyridin-3-yl-vinyl)-1H-indole | ...) Show SMILES Fc1ccc2c(\C=C\c3cccnc3)c[nH]c2c1 Show InChI InChI=1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of mouse TDO				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Mus musculus)	BDBM50350248 (CHEMBL1812545) Show SMILES Fc1ccc2c(C=Cc3nnn[nH]3)c[nH]c2c1 |w:6.5| Show InChI InChI=1S/C11H8FN5/c12-8-2-3-9-7(6-13-10(9)5-8)1-4-11-14-16-17-15-11/h1-6,13H,(H,14,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of mouse TDO				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50030791 (CHEMBL3342402) Show SMILES Cc1ccc(cc1)-c1csc2nnc(SCC(=O)Nc3ccc4OCOc4c3)n12 Show InChI InChI=1S/C20H16N4O3S2/c1-12-2-4-13(5-3-12)15-9-28-19-22-23-20(24(15)19)29-10-18(25)21-14-6-7-16-17(8-14)27-11-26-16/h2-9H,10-11H2,1H3,(H,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of human IDO1				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24663 (2-(1H-imidazol-4-yl)phenol | 2-(1H-imidazol-4-yl)p...) Show SMILES Oc1ccccc1-c1c[nH]cn1 Show InChI InChI=1S/C9H8N2O/c12-9-4-2-1-3-7(9)8-5-10-6-11-8/h1-6,12H,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin)				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair				3D Structure (docked)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24664 (2-(1H-imidazol-4-yl)benzene-1,3-diol | 2-(1H-imida...) Show SMILES Oc1cccc(O)c1-c1c[nH]cn1 Show InChI InChI=1S/C9H8N2O2/c12-7-2-1-3-8(13)9(7)6-4-10-5-11-6/h1-5,12-13H,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin)				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair				3D Structure (docked)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24665 (3-(1H-imidazol-4-yl)benzene-1-thiol | 3-(1H-imidaz...) Show SMILES Sc1cccc(c1)-c1c[nH]cn1 Show InChI InChI=1S/C9H8N2S/c12-8-3-1-2-7(4-8)9-5-10-6-11-9/h1-6,12H,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin)				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair				3D Structure (docked)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24666 (4-(1H-imidazol-4-yl)benzene-1-thiol | 4-(1H-imidaz...) Show SMILES Sc1ccc(cc1)-c1c[nH]cn1 Show InChI InChI=1S/C9H8N2S/c12-8-3-1-7(2-4-8)9-5-10-6-11-9/h1-6,12H,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin)				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair				3D Structure (docked)
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Rattus norvegicus)	BDBM50126149 (CHEMBL3629573) Show SMILES O=C1NC(=O)\C(S1)=C\c1cccc(c1)-c1ccc2CCN3c2c1CCC3=O Show InChI InChI=1S/C21H16N2O3S/c24-18-7-6-16-15(5-4-13-8-9-23(18)19(13)16)14-3-1-2-12(10-14)11-17-20(25)22-21(26)27-17/h1-5,10-11H,6-9H2,(H,22,25,26)/b17-11-	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of rat KAT-2				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24667 (2-(1H-imidazol-4-yl)benzene-1-thiol | 2-(1H-imidaz...) Show SMILES Sc1ccccc1-c1c[nH]cn1 Show InChI InChI=1S/C9H8N2S/c12-9-4-2-1-3-7(9)8-5-10-6-11-8/h1-6,12H,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin)				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair				3D Structure (docked)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50126142 (4-Phenylimidazole | CHEMBL14145 | US11053207, Comp...) Show SMILES c1ncc([nH]1)-c1ccccc1 Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin)				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50030791 (CHEMBL3342402) Show SMILES Cc1ccc(cc1)-c1csc2nnc(SCC(=O)Nc3ccc4OCOc4c3)n12 Show InChI InChI=1S/C20H16N4O3S2/c1-12-2-4-13(5-3-12)15-9-28-19-22-23-20(24(15)19)29-10-18(25)21-14-6-7-16-17(8-14)27-11-26-16/h2-9H,10-11H2,1H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>6.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of TDO (unknown origin)				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Rattus norvegicus)	BDBM50126148 (CHEMBL3629572) Show SMILES CCS(=O)(=O)c1ccc(cc1)C(=O)C[C@H](N)C(O)=O |r| Show InChI InChI=1S/C12H15NO5S/c1-2-19(17,18)9-5-3-8(4-6-9)11(14)7-10(13)12(15)16/h3-6,10H,2,7,13H2,1H3,(H,15,16)/t10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of rat KAT-2				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50289137 (6-Fluoro-3-((E)-2-pyridin-3-yl-vinyl)-1H-indole | ...) Show SMILES Fc1ccc2c(\C=C\c3cccnc3)c[nH]c2c1 Show InChI InChI=1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of mouse IDO1				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2 (Homo sapiens (Human))	BDBM50030791 (CHEMBL3342402) Show SMILES Cc1ccc(cc1)-c1csc2nnc(SCC(=O)Nc3ccc4OCOc4c3)n12 Show InChI InChI=1S/C20H16N4O3S2/c1-12-2-4-13(5-3-12)15-9-28-19-22-23-20(24(15)19)29-10-18(25)21-14-6-7-16-17(8-14)27-11-26-16/h2-9H,10-11H2,1H3,(H,21,25)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of human IDO2				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24674 (3-(1H-imidazol-4-yl)phenol | 3-(1H-imidazol-4-yl)p...) Show SMILES Oc1cccc(c1)-c1c[nH]cn1 Show InChI InChI=1S/C9H8N2O/c12-8-3-1-2-7(4-8)9-5-10-6-11-9/h1-6,12H,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.65E+5	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin)				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair				3D Structure (docked)
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50350248 (CHEMBL1812545) Show SMILES Fc1ccc2c(C=Cc3nnn[nH]3)c[nH]c2c1 |w:6.5| Show InChI InChI=1S/C11H8FN5/c12-8-2-3-9-7(6-13-10(9)5-8)1-4-11-14-16-17-15-11/h1-6,13H,(H,14,15,16,17)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of mouse IDO1				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24677 (4-(1H-imidazol-4-yl)phenol | 4-(1H-imidazol-4-yl)p...) Show SMILES Oc1ccc(cc1)-c1c[nH]cn1 Show InChI InChI=1S/C9H8N2O/c12-8-3-1-7(2-4-8)9-5-10-6-11-9/h1-6,12H,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.20E+6	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin)				J Med Chem 58: 8762-82 (2015) Article DOI: 10.1021/acs.jmedchem.5b00461 BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair				3D Structure (docked)