Compile Data Set for Download or QSAR

Found 60 hits of ec50 for UniProtKB: P48775   

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
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511728 (CHEMBL4577396) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2ccccc2[C@H]1O |r| Show InChI InChI=1S/C20H18N2O/c23-20-14-6-2-1-5-13(14)9-10-17(20)19-16-8-4-3-7-15(16)18-11-21-12-22(18)19/h1-8,11-12,17,19-20,23H,9-10H2/t17-,19+,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511724 (CHEMBL4468203) Show SMILES C1CCC(CC1)[C@H]1c2ccccc2-c2cncn12 |r| Show InChI InChI=1S/C16H18N2/c1-2-6-12(7-3-1)16-14-9-5-4-8-13(14)15-10-17-11-18(15)16/h4-5,8-12,16H,1-3,6-7H2/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511731 (CHEMBL4544695) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2ccc(cc2[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C21H19N3O2/c22-21(26)13-6-5-12-7-8-16(20(25)17(12)9-13)19-15-4-2-1-3-14(15)18-10-23-11-24(18)19/h1-6,9-11,16,19-20,25H,7-8H2,(H2,22,26)/t16-,19+,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511709 (CHEMBL4555603) Show SMILES [H][C@]1(CC[C@H]1O)[C@@]1([H])c2ccccc2-c2cncn12 |r| Show InChI InChI=1S/C14H14N2O/c17-13-6-5-11(13)14-10-4-2-1-3-9(10)12-7-15-8-16(12)14/h1-4,7-8,11,13-14,17H,5-6H2/t11-,13-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511714 (CHEMBL4520696) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2ccc(cc2[C@H]1O)S(C)(=O)=O |r| Show InChI InChI=1S/C21H20N2O3S/c1-27(25,26)14-8-6-13-7-9-17(21(24)18(13)10-14)20-16-5-3-2-4-15(16)19-11-22-12-23(19)20/h2-6,8,10-12,17,20-21,24H,7,9H2,1H3/t17-,20+,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	39	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511717 (CHEMBL4437257) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2cnccc2[C@H]1O |r| Show InChI InChI=1S/C19H17N3O/c23-19-13-7-8-20-9-12(13)5-6-16(19)18-15-4-2-1-3-14(15)17-10-21-11-22(17)18/h1-4,7-11,16,18-19,23H,5-6H2/t16-,18+,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511723 (CHEMBL4445816) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCCC[C@H]1O |r| Show InChI InChI=1S/C16H18N2O/c19-15-8-4-3-7-13(15)16-12-6-2-1-5-11(12)14-9-17-10-18(14)16/h1-2,5-6,9-10,13,15-16,19H,3-4,7-8H2/t13-,15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511727 (CHEMBL4447185) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2ccncc2[C@H]1O |r| Show InChI InChI=1S/C19H17N3O/c23-19-15(6-5-12-7-8-20-9-16(12)19)18-14-4-2-1-3-13(14)17-10-21-11-22(17)18/h1-4,7-11,15,18-19,23H,5-6H2/t15-,18+,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511730 (CHEMBL4590789) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2nonc2[C@H]1O |r| Show InChI InChI=1S/C16H14N4O2/c21-16-11(5-6-12-14(16)19-22-18-12)15-10-4-2-1-3-9(10)13-7-17-8-20(13)15/h1-4,7-8,11,15-16,21H,5-6H2/t11-,15+,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511710 (CHEMBL4541824) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2ccc(cc2[C@H]1O)C#N |r| Show InChI InChI=1S/C21H17N3O/c22-10-13-5-6-14-7-8-17(21(25)18(14)9-13)20-16-4-2-1-3-15(16)19-11-23-12-24(19)20/h1-6,9,11-12,17,20-21,25H,7-8H2/t17-,20+,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511725 (CHEMBL4593111) Show SMILES [H][C@]1([C@H](C)[C@H](O)C2CCCCC2)c2ccccc2-c2cncn12 |r| Show InChI InChI=1S/C19H24N2O/c1-13(19(22)14-7-3-2-4-8-14)18-16-10-6-5-9-15(16)17-11-20-12-21(17)18/h5-6,9-14,18-19,22H,2-4,7-8H2,1H3/t13-,18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	62	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511716 (CHEMBL4539108) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2cc(ccc2[C@H]1O)S(C)(=O)=O |r| Show InChI InChI=1S/C21H20N2O3S/c1-27(25,26)14-7-9-15-13(10-14)6-8-18(21(15)24)20-17-5-3-2-4-16(17)19-11-22-12-23(19)20/h2-5,7,9-12,18,20-21,24H,6,8H2,1H3/t18-,20+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	65	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511722 (CHEMBL4531114) Show SMILES [H][C@]1(CCC[C@H]1O)[C@@]1([H])c2ccccc2-c2cncn12 |r| Show InChI InChI=1S/C15H16N2O/c18-14-7-3-6-12(14)15-11-5-2-1-4-10(11)13-8-16-9-17(13)15/h1-2,4-5,8-9,12,14-15,18H,3,6-7H2/t12-,14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511713 (CHEMBL4467673) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)C(C)(C)[C@H](O)c1ncco1 |r| Show InChI InChI=1S/C17H17N3O2/c1-17(2,15(21)16-19-7-8-22-16)14-12-6-4-3-5-11(12)13-9-18-10-20(13)14/h3-10,14-15,21H,1-2H3/t14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	71	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511719 (CHEMBL4548068) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCOC[C@H]1O |r| Show InChI InChI=1S/C15H16N2O2/c18-14-8-19-6-5-12(14)15-11-4-2-1-3-10(11)13-7-16-9-17(13)15/h1-4,7,9,12,14-15,18H,5-6,8H2/t12-,14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	72	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50321330 (CHEMBL4166624) Show SMILES Nc1oncc1-n1cc(F)cn1 Show InChI InChI=1S/C6H5FN4O/c7-4-1-9-11(3-4)5-2-10-12-6(5)8/h1-3H,8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	77	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO2 in human SW48 cells assessed as decrease in conversion of tryptophan to N-formylkynurenine after 30 mins by fluorescence assay				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50321330 (CHEMBL4166624) Show SMILES Nc1oncc1-n1cc(F)cn1 Show InChI InChI=1S/C6H5FN4O/c7-4-1-9-11(3-4)5-2-10-12-6(5)8/h1-3H,8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	77	n/a	n/a	n/a	n/a
Xihua University Curated by ChEMBL					Assay Description Inhibition of TDO (unknown origin)				Bioorg Med Chem 27: 1087-1098 (2019) Article DOI: 10.1016/j.bmc.2019.02.014 BindingDB Entry DOI: 10.7270/Q2G73J3G
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50321318 (CHEMBL4166415) Show SMILES Nc1oncc1-c1ccccc1 Show InChI InChI=1S/C9H8N2O/c10-9-8(6-11-12-9)7-4-2-1-3-5-7/h1-6H,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	85	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO2 in human SW48 cells assessed as decrease in conversion of tryptophan to N-formylkynurenine after 30 mins by fluorescence assay				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511718 (CHEMBL4542307) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCN(C[C@H]1O)S(C)(=O)=O |r| Show InChI InChI=1S/C16H19N3O3S/c1-23(21,22)18-7-6-13(15(20)9-18)16-12-5-3-2-4-11(12)14-8-17-10-19(14)16/h2-5,8,10,13,15-16,20H,6-7,9H2,1H3/t13-,15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	87	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50321325 (CHEMBL4173485) Show SMILES Nc1oncc1-c1ccsc1 Show InChI InChI=1S/C7H6N2OS/c8-7-6(3-9-10-7)5-1-2-11-4-5/h1-4H,8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	99	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO2 in human SW48 cells assessed as decrease in conversion of tryptophan to N-formylkynurenine after 30 mins by fluorescence assay				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511711 (CHEMBL4439294) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCn2nccc2[C@H]1O |r| Show InChI InChI=1S/C17H16N4O/c22-17-13(6-8-21-14(17)5-7-19-21)16-12-4-2-1-3-11(12)15-9-18-10-20(15)16/h1-5,7,9-10,13,16-17,22H,6,8H2/t13-,16+,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511729 (CHEMBL4589215) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2ccc(cc2[C@H]1O)P(C)(C)=O |r| Show InChI InChI=1S/C22H23N2O2P/c1-27(2,26)15-9-7-14-8-10-18(22(25)19(14)11-15)21-17-6-4-3-5-16(17)20-12-23-13-24(20)21/h3-7,9,11-13,18,21-22,25H,8,10H2,1-2H3/t18-,21+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511715 (CHEMBL4540245) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])COCC[C@H]1O |r| Show InChI InChI=1S/C15H16N2O2/c18-14-5-6-19-8-12(14)15-11-4-2-1-3-10(11)13-7-16-9-17(13)15/h1-4,7,9,12,14-15,18H,5-6,8H2/t12-,14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	210	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50321942 (CHEMBL4170773) Show SMILES Nc1oncc1-c1ccc(F)cc1 Show InChI InChI=1S/C9H7FN2O/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	210	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO2 in human SW48 cells assessed as decrease in conversion of tryptophan to N-formylkynurenine after 30 mins by fluorescence assay				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50321319 (CHEMBL4168975) Show SMILES Nc1oncc1-n1cccn1 Show InChI InChI=1S/C6H6N4O/c7-6-5(4-9-11-6)10-3-1-2-8-10/h1-4H,7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO2 in human SW48 cells assessed as decrease in conversion of tryptophan to N-formylkynurenine after 30 mins by fluorescence assay				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50321386 (CHEMBL4170344) Show SMILES Nc1oncc1-c1cccc(Cl)c1 Show InChI InChI=1S/C9H7ClN2O/c10-7-3-1-2-6(4-7)8-5-12-13-9(8)11/h1-5H,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO2 in human SW48 cells assessed as decrease in conversion of tryptophan to N-formylkynurenine after 30 mins by fluorescence assay				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50138828 (CHEMBL3752060 | US10233190, Example 1417) Show SMILES O[C@@H](C[C@H]1c2ccccc2-c2cncn12)C1CCCCC1 |r| 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/t16-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50321329 (CHEMBL4177244) Show SMILES Cc1cnn(c1)-c1cnoc1N Show InChI InChI=1S/C7H8N4O/c1-5-2-9-11(4-5)6-3-10-12-7(6)8/h2-4H,8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	340	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO2 in human SW48 cells assessed as decrease in conversion of tryptophan to N-formylkynurenine after 30 mins by fluorescence assay				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50321331 (CHEMBL4166941) Show SMILES Nc1oncc1C1CCCC1 Show InChI InChI=1S/C8H12N2O/c9-8-7(5-10-11-8)6-3-1-2-4-6/h5-6H,1-4,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO2 in human SW48 cells assessed as decrease in conversion of tryptophan to N-formylkynurenine after 30 mins by fluorescence assay				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511726 (CHEMBL4440730) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2c(cnn2C)[C@H]1O |r| Show InChI InChI=1S/C18H18N4O/c1-21-15-7-6-13(18(23)14(15)8-20-21)17-12-5-3-2-4-11(12)16-9-19-10-22(16)17/h2-5,8-10,13,17-18,23H,6-7H2,1H3/t13-,17+,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	380	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50321436 (CHEMBL4162962) Show SMILES CNc1oncc1-c1ccccc1 Show InChI InChI=1S/C10H10N2O/c1-11-10-9(7-12-13-10)8-5-3-2-4-6-8/h2-7,11H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO2 in human SW48 cells assessed as decrease in conversion of tryptophan to N-formylkynurenine after 30 mins by fluorescence assay				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50321332 (CHEMBL4165554) Show SMILES Nc1oncc1-c1cccs1 Show InChI InChI=1S/C7H6N2OS/c8-7-5(4-9-10-7)6-2-1-3-11-6/h1-4H,8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	810	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO2 in human SW48 cells assessed as decrease in conversion of tryptophan to N-formylkynurenine after 30 mins by fluorescence assay				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50335565 (CHEMBL4176841) Show SMILES Cc1ccn(n1)-c1cnoc1N Show InChI InChI=1S/C7H8N4O/c1-5-2-3-11(10-5)6-4-9-12-7(6)8/h2-4H,8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	810	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO2 in human SW48 cells assessed as decrease in conversion of tryptophan to N-formylkynurenine after 30 mins by fluorescence assay				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50321321 (CHEMBL4165043) Show SMILES Nc1oncc1-c1ccccn1 Show InChI InChI=1S/C8H7N3O/c9-8-6(5-11-12-8)7-3-1-2-4-10-7/h1-5H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	820	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO2 in human SW48 cells assessed as decrease in conversion of tryptophan to N-formylkynurenine after 30 mins by fluorescence assay				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50321335 (CHEMBL4160126) Show SMILES Nc1oncc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C9H7ClN2O/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	950	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO2 in human SW48 cells assessed as decrease in conversion of tryptophan to N-formylkynurenine after 30 mins by fluorescence assay				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50606613 (CHEMBL5219865) Show SMILES O[C@@H]1CCCC[C@H]1CNc1cc(Br)cc2[nH]ncc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00303 BindingDB Entry DOI: 10.7270/Q2474G0K
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50321323 (CHEMBL4177147) Show SMILES Nc1oncc1-c1cccnc1 Show InChI InChI=1S/C8H7N3O/c9-8-7(5-11-12-8)6-2-1-3-10-4-6/h1-5H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO2 in human SW48 cells assessed as decrease in conversion of tryptophan to N-formylkynurenine after 30 mins by fluorescence assay				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511720 (CHEMBL4558670) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCN(C)C[C@H]1O |r| Show InChI InChI=1S/C16H19N3O/c1-18-7-6-13(15(20)9-18)16-12-5-3-2-4-11(12)14-8-17-10-19(14)16/h2-5,8,10,13,15-16,20H,6-7,9H2,1H3/t13-,15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50335520 (CHEMBL4162432) Show SMILES COc1cccc(c1)-c1cnoc1N Show InChI InChI=1S/C10H10N2O2/c1-13-8-4-2-3-7(5-8)9-6-12-14-10(9)11/h2-6H,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO2 in human SW48 cells assessed as decrease in conversion of tryptophan to N-formylkynurenine after 30 mins by fluorescence assay				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50335521 (CHEMBL4159044) Show SMILES Nc1oncc1C1CCCCC1 Show InChI InChI=1S/C9H14N2O/c10-9-8(6-11-12-9)7-4-2-1-3-5-7/h6-7H,1-5,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO2 in human SW48 cells assessed as decrease in conversion of tryptophan to N-formylkynurenine after 30 mins by fluorescence assay				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM370555 ((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...) Show SMILES O[C@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1 |r,wU:19.22,wD:3.2,1.0,16.19,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-3.03,;3.63,-3.03,;4.4,-1.7,;5.94,-1.7,;3.63,-.37,;2.09,-.37,)| Show InChI InChI=1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11-,12-,15-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00303 BindingDB Entry DOI: 10.7270/Q2474G0K
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM370555 ((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...) Show SMILES O[C@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1 |r,wU:19.22,wD:3.2,1.0,16.19,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-3.03,;3.63,-3.03,;4.4,-1.7,;5.94,-1.7,;3.63,-.37,;2.09,-.37,)| Show InChI InChI=1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11-,12-,15-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO (unknown origin)				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511721 (CHEMBL4473543) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCN(C[C@H]1O)C(C)=O |r| Show InChI InChI=1S/C17H19N3O2/c1-11(21)19-7-6-14(16(22)9-19)17-13-5-3-2-4-12(13)15-8-18-10-20(15)17/h2-5,8,10,14,16-17,22H,6-7,9H2,1H3/t14-,16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM370555 ((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...) Show SMILES O[C@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1 |r,wU:19.22,wD:3.2,1.0,16.19,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-3.03,;3.63,-3.03,;4.4,-1.7,;5.94,-1.7,;3.63,-.37,;2.09,-.37,)| Show InChI InChI=1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11-,12-,15-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00303 BindingDB Entry DOI: 10.7270/Q2474G0K
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50606613 (CHEMBL5219865) Show SMILES O[C@@H]1CCCC[C@H]1CNc1cc(Br)cc2[nH]ncc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.03E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00303 BindingDB Entry DOI: 10.7270/Q2474G0K
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511712 (CHEMBL4529817) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCn2cnnc2[C@H]1O |r| Show InChI InChI=1S/C16H15N5O/c22-15-12(5-6-20-9-18-19-16(15)20)14-11-4-2-1-3-10(11)13-7-17-8-21(13)14/h1-4,7-9,12,14-15,22H,5-6H2/t12-,14+,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50440736 (CHEMBL2431088) Show SMILES Cc1noc(N)c1-c1ccccc1 Show InChI InChI=1S/C10H10N2O/c1-7-9(10(11)13-12-7)8-5-3-2-4-6-8/h2-6H,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO2 in human SW48 cells assessed as decrease in conversion of tryptophan to N-formylkynurenine after 30 mins by fluorescence assay				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50321328 (CHEMBL4163495) Show SMILES OCc1oncc1-c1ccccc1 Show InChI InChI=1S/C10H9NO2/c12-7-10-9(6-11-13-10)8-4-2-1-3-5-8/h1-6,12H,7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO2 in human SW48 cells assessed as decrease in conversion of tryptophan to N-formylkynurenine after 30 mins by fluorescence assay				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50335922 (CHEMBL4163311) Show SMILES Nc1snnc1-c1ccccc1 Show InChI InChI=1S/C8H7N3S/c9-8-7(10-11-12-8)6-4-2-1-3-5-6/h1-5H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO2 in human SW48 cells assessed as decrease in conversion of tryptophan to N-formylkynurenine after 30 mins by fluorescence assay				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50321320 (CHEMBL4168362) Show SMILES CNC(=O)c1oncc1-c1ccccc1 Show InChI InChI=1S/C11H10N2O2/c1-12-11(14)10-9(7-13-15-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO2 in human SW48 cells assessed as decrease in conversion of tryptophan to N-formylkynurenine after 30 mins by fluorescence assay				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 60 total )  |  Next  |  Last  >>

Jump to: