Compile Data Set for Download or QSAR

Found 1324 hits of ic50 data for polymerid = 50001412,50001415,50004803   

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))	BDBM50606773 (CHEMBL5220107) Show SMILES CC1=C(CC(=O)c2sccc2Br)C(=O)c2ccccc2C1=O |c:1| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114524 BindingDB Entry DOI: 10.7270/Q2PZ5DW0
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50556074 (CHEMBL4787695) Show SMILES Fc1ccc2C(=O)c3c(nnn3-c3ccc(F)c(Cl)c3)C(=O)c2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TDO (unknown origin) assessed as reduction in L-kynurenine formation using L-tryptophan as substrate incubated for 30 mins microplate s...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112703 BindingDB Entry DOI: 10.7270/Q2639TD7
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50556074 (CHEMBL4787695) Show SMILES Fc1ccc2C(=O)c3c(nnn3-c3ccc(F)c(Cl)c3)C(=O)c2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114524 BindingDB Entry DOI: 10.7270/Q2PZ5DW0
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50590774 (CHEMBL5203175) Show SMILES O[C@@H](C1CCCCC1)c1cc(Cl)cc2cncn12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.60	n/a	n/a	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))	BDBM50556077 (CHEMBL4765090) Show SMILES Fc1ccc2C(=O)c3nnn(c3C(=O)c2c1)-c1ccc(F)c(Cl)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TDO (unknown origin) assessed as reduction in L-kynurenine formation using L-tryptophan as substrate incubated for 30 mins microplate s...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112703 BindingDB Entry DOI: 10.7270/Q2639TD7
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM541856 (US11267824, Example 68a) Show SMILES O[C@@H](C1CCCCC1)c1c(C=C)sc2cncn12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	11.6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TDO2: Recombinant human TDO comprising amino acids 19-407 with a N-terminal hexahistidine tag expressed in E. coli and purified to homogeneity is inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RB77T6
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50556061 (CHEMBL4756155) Show SMILES Fc1ccc(cc1Cl)-n1nnc2c1C(=O)c1ccccc1C2=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114524 BindingDB Entry DOI: 10.7270/Q2PZ5DW0
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50556061 (CHEMBL4756155) Show SMILES Fc1ccc(cc1Cl)-n1nnc2c1C(=O)c1ccccc1C2=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TDO (unknown origin) assessed as reduction in L-kynurenine formation using L-tryptophan as substrate incubated for 30 mins microplate s...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112703 BindingDB Entry DOI: 10.7270/Q2639TD7
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50556065 (CHEMBL4747779) Show SMILES [O-][N+](=O)c1cc(ccc1Cl)-n1nnc2c1C(=O)c1ccccc1C2=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TDO (unknown origin) assessed as reduction in L-kynurenine formation using L-tryptophan as substrate incubated for 30 mins microplate s...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112703 BindingDB Entry DOI: 10.7270/Q2639TD7
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50556047 (CHEMBL4780314) Show SMILES Clc1ccc(cc1)-n1nnc2c1C(=O)c1ccccc1C2=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TDO (unknown origin) assessed as reduction in L-kynurenine formation using L-tryptophan as substrate incubated for 30 mins microplate s...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112703 BindingDB Entry DOI: 10.7270/Q2639TD7
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM541934 (US11267824, Example 140a) Show SMILES Cc1sc2cncn2c1[C@@H](O)C1(C)CCCC1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TDO2: Recombinant human TDO comprising amino acids 19-407 with a N-terminal hexahistidine tag expressed in E. coli and purified to homogeneity is inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RB77T6
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50556066 (CHEMBL4791729) Show SMILES Fc1cc(ccc1Cl)-n1nnc2c1C(=O)c1ccccc1C2=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TDO (unknown origin) assessed as reduction in L-kynurenine formation using L-tryptophan as substrate incubated for 30 mins microplate s...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112703 BindingDB Entry DOI: 10.7270/Q2639TD7
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50556063 (CHEMBL4753714) Show SMILES Clc1ccc(cc1Cl)-n1nnc2c1C(=O)c1ccccc1C2=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TDO (unknown origin) assessed as reduction in L-kynurenine formation using L-tryptophan as substrate incubated for 30 mins microplate s...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112703 BindingDB Entry DOI: 10.7270/Q2639TD7
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM541933 (US11267824, Example 140) Show SMILES Cc1sc2cncn2c1C(O)C1(C)CCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TDO2: Recombinant human TDO comprising amino acids 19-407 with a N-terminal hexahistidine tag expressed in E. coli and purified to homogeneity is inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RB77T6
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511732 (CHEMBL4434743) Show SMILES OCCn1c2ccccc2c2cncn12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition and measured after 15 mins...				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))	BDBM50567017 (CHEMBL4862796) Show SMILES Fc1ccc2c(c[nH]c2c1)-c1ccc2[nH]nnc2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TDO2 expressed in mouse P815B cells assessed as kynurenine concentration formation using L-tryptophan as substrate incubated for ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00323 BindingDB Entry DOI: 10.7270/Q2GM8C2N
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM541886 (US11267824, Example 96 | US11267824, Example 96a) Show SMILES CCc1sc2cncn2c1C(O)C1CCCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TDO2: Recombinant human TDO comprising amino acids 19-407 with a N-terminal hexahistidine tag expressed in E. coli and purified to homogeneity is inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RB77T6
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM370419 (2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol | US1023...) Show SMILES OCCC1c2ccccc2-c2cncn12 Show InChI InChI=1S/C12H12N2O/c15-6-5-11-9-3-1-2-4-10(9)12-7-13-8-14(11)12/h1-4,7-8,11,15H,5-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition and measured after 15 mins...				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))	BDBM50556070 (CHEMBL4798028) Show SMILES O=C1c2nnn(c2C(=O)c2ccccc12)-c1cccnc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TDO (unknown origin) assessed as reduction in L-kynurenine formation using L-tryptophan as substrate incubated for 30 mins microplate s...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112703 BindingDB Entry DOI: 10.7270/Q2639TD7
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM541834 (US11267824, Example 52) Show SMILES Cc1cccc(c1)C(O)c1c(sc2cncn12)C1CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22.3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TDO2: Recombinant human TDO comprising amino acids 19-407 with a N-terminal hexahistidine tag expressed in E. coli and purified to homogeneity is inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RB77T6
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50550890 (CHEMBL4747079) Show SMILES CCNC1=C\C(=N/c2ccc(F)c(Cl)c2)c2cc([nH]c2C1=O)C(O)=O |t:3| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human TDO assessed as reduction in kynurenine formation using L-tryptophan as substrate incubated for 45 mins by microplate...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111985 BindingDB Entry DOI: 10.7270/Q2W95DSZ
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50556060 (CHEMBL4783665) Show SMILES O=C1c2nnn(c2C(=O)c2ccccc12)-c1ccc(cc1)-c1nnn[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TDO (unknown origin) assessed as reduction in L-kynurenine formation using L-tryptophan as substrate incubated for 30 mins microplate s...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112703 BindingDB Entry DOI: 10.7270/Q2639TD7
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50556062 (CHEMBL4785841) Show SMILES FC(F)(F)c1ccc(cc1Cl)-n1nnc2c1C(=O)c1ccccc1C2=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TDO (unknown origin) assessed as reduction in L-kynurenine formation using L-tryptophan as substrate incubated for 30 mins microplate s...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112703 BindingDB Entry DOI: 10.7270/Q2639TD7
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50541645 (CHEMBL4642346) Show SMILES Clc1ccc(cn1)-n1nnc2c1C(=O)c1ccccc1C2=O Show InChI InChI=1S/C15H7ClN4O2/c16-11-6-5-8(7-17-11)20-13-12(18-19-20)14(21)9-3-1-2-4-10(9)15(13)22/h1-7H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TDO (unknown origin) assessed as reduction in L-kynurenine formation using L-tryptophan as substrate incubated for 30 mins microplate s...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112703 BindingDB Entry DOI: 10.7270/Q2639TD7
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50205741 (CHEMBL3947656) Show SMILES CC1N(CC(N)=O)S(=O)(=O)c2ccc(cc12)-c1c[nH]c2cc(F)ccc12 Show InChI InChI=1S/C18H16FN3O3S/c1-10-14-6-11(15-8-21-16-7-12(19)3-4-13(15)16)2-5-17(14)26(24,25)22(10)9-18(20)23/h2-8,10,21H,9H2,1H3,(H2,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of TDO2 in human A172 cells assessed as kynurenine formation after overnight incubation				ACS Med Chem Lett 8: 11-13 (2017) Article DOI: 10.1021/acsmedchemlett.6b00458 BindingDB Entry DOI: 10.7270/Q2CZ395S
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50205695 (CHEMBL3941937) Show SMILES C[C@H]1NS(=O)(=O)c2ccc(cc12)-c1c[nH]c2cc(F)ccc12 |r| Show InChI InChI=1S/C16H13FN2O2S/c1-9-13-6-10(2-5-16(13)22(20,21)19-9)14-8-18-15-7-11(17)3-4-12(14)15/h2-9,18-19H,1H3/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of TDO2 in human A172 cells assessed as kynurenine formation after overnight incubation				ACS Med Chem Lett 8: 11-13 (2017) Article DOI: 10.1021/acsmedchemlett.6b00458 BindingDB Entry DOI: 10.7270/Q2CZ395S
					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	28	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO2 assessed as decrease in conversion of L-tryptophan to N-formylkynurenine preincubated for 5 mins followed by 0.2...				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))	BDBM50556054 (CHEMBL4777219) Show SMILES [O-][N+](=O)c1cccc(c1)-n1nnc2c1C(=O)c1ccccc1C2=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TDO (unknown origin) assessed as reduction in L-kynurenine formation using L-tryptophan as substrate incubated for 30 mins microplate s...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112703 BindingDB Entry DOI: 10.7270/Q2639TD7
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM541966 (US11267824, Example 172) Show SMILES CCc1sc2cncn2c1C(O)C1(C)CCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28.7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TDO2: Recombinant human TDO comprising amino acids 19-407 with a N-terminal hexahistidine tag expressed in E. coli and purified to homogeneity is inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RB77T6
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50590774 (CHEMBL5203175) Show SMILES O[C@@H](C1CCCCC1)c1cc(Cl)cc2cncn12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114625 BindingDB Entry DOI: 10.7270/Q2JW8JVD
					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	29	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO2 assessed as decrease in conversion of L-tryptophan to N-formylkynurenine preincubated for 5 mins followed by 0.2...				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))	BDBM50606771 (CHEMBL5218853) Show SMILES O[C@H](C1CCCCC1)c1cn2cncc2cc1Cl |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114524 BindingDB Entry DOI: 10.7270/Q2PZ5DW0
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM541855 (US11267824, Example 68) Show SMILES OC(C1CCCCC1)c1c(C=C)sc2cncn12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	29.3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TDO2: Recombinant human TDO comprising amino acids 19-407 with a N-terminal hexahistidine tag expressed in E. coli and purified to homogeneity is inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RB77T6
					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	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human TDO2 expressed in Escherichia coli BL21 (DE3) assessed as reduction in N-formylkynurenine formation using L-tryptopha...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116160 BindingDB Entry DOI: 10.7270/Q2DF6W0V
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50127174 (CHEMBL3628599) Show SMILES CN1CCN(CC1)C(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1 Show InChI InChI=1S/C23H21N5O3/c1-26-9-11-27(12-10-26)23(31)16-6-4-5-15(13-16)14-28-20-19(24-25-28)21(29)17-7-2-3-8-18(17)22(20)30/h2-8,13H,9-12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00921 BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50542388 (CHEMBL4645973) Show SMILES OC(=O)\C=C\c1ccc2nc3C(=O)c4cc(F)ccc4-n3c(=O)c2c1 Show InChI InChI=1S/C18H9FN2O4/c19-10-3-5-14-12(8-10)16(24)17-20-13-4-1-9(2-6-15(22)23)7-11(13)18(25)21(14)17/h1-8H,(H,22,23)/b6-2+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO expressed in Escherichia coli BL21 using L-Trp as substrate incubated for 30 mins by enzymatic assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127159 BindingDB Entry DOI: 10.7270/Q2PN995R
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50127174 (CHEMBL3628599) Show SMILES CN1CCN(CC1)C(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1 Show InChI InChI=1S/C23H21N5O3/c1-26-9-11-27(12-10-26)23(31)16-6-4-5-15(13-16)14-28-20-19(24-25-28)21(29)17-7-2-3-8-18(17)22(20)30/h2-8,13H,9-12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of TDO (unknown origin)				J Med Chem 63: 1544-1563 (2020) Article DOI: 10.1021/acs.jmedchem.9b01386 BindingDB Entry DOI: 10.7270/Q2J969RJ
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50127204 (CHEMBL3628602) Show SMILES CN1CCN(CC1)C(=O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1 Show InChI InChI=1S/C23H21N5O3/c1-26-10-12-27(13-11-26)23(31)16-8-6-15(7-9-16)14-28-20-19(24-25-28)21(29)17-4-2-3-5-18(17)22(20)30/h2-9H,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	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))	BDBM50515069 (CHEMBL4522927 | US10899764, Example 28) Show SMILES Cn1cc(cn1)-c1ccc(cc1)N1CCC(CC1)[C@H]1c2c(cccc2F)-c2cncn12 |r| Show InChI InChI=1S/C25H24FN5/c1-29-15-19(13-28-29)17-5-7-20(8-6-17)30-11-9-18(10-12-30)25-24-21(3-2-4-22(24)26)23-14-27-16-31(23)25/h2-8,13-16,18,25H,9-12H2,1H3/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	30.6	n/a	n/a	n/a	n/a	n/a	n/a
JIANGSU HENGRUI MEDICINE CO., LTD.; SHANGHAI HENGRUI PHRMACEUTICAL CO., LTD. US Patent					Assay Description TDO: For testing, 24 μL of enzyme (TDO) was diluted 100 times with 50 mM KPB to 2400 μL. The concentration of the enzyme solution was 2.6 n...				US Patent US10899764 (2021) BindingDB Entry DOI: 10.7270/Q2MW2M8Z
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50556069 (CHEMBL4763934) Show SMILES O=C1c2nnn(c2C(=O)c2ccccc12)-c1ccc2ccncc2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TDO (unknown origin) assessed as reduction in L-kynurenine formation using L-tryptophan as substrate incubated for 30 mins microplate s...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112703 BindingDB Entry DOI: 10.7270/Q2639TD7
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50556064 (CHEMBL4753565) Show SMILES Fc1c(Cl)cc(cc1Cl)-n1nnc2c1C(=O)c1ccccc1C2=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TDO (unknown origin) assessed as reduction in L-kynurenine formation using L-tryptophan as substrate incubated for 30 mins microplate s...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112703 BindingDB Entry DOI: 10.7270/Q2639TD7
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50556046 (CHEMBL4749726) Show SMILES Clc1cccc(c1)-n1nnc2c1C(=O)c1ccccc1C2=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TDO (unknown origin) assessed as reduction in L-kynurenine formation using L-tryptophan as substrate incubated for 30 mins microplate s...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112703 BindingDB Entry DOI: 10.7270/Q2639TD7
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50127174 (CHEMBL3628599) Show SMILES CN1CCN(CC1)C(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1 Show InChI InChI=1S/C23H21N5O3/c1-26-9-11-27(12-10-26)23(31)16-6-4-5-15(13-16)14-28-20-19(24-25-28)21(29)17-7-2-3-8-18(17)22(20)30/h2-8,13H,9-12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TDO (unknown origin) assessed as reduction in L-kynurenine formation using L-tryptophan as substrate incubated for 30 mins microplate s...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112703 BindingDB Entry DOI: 10.7270/Q2639TD7
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM541968 (US11267824, Example 174) Show SMILES Cc1sc2cncn2c1C(O)C1(C)CCCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37.9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TDO2: Recombinant human TDO comprising amino acids 19-407 with a N-terminal hexahistidine tag expressed in E. coli and purified to homogeneity is inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RB77T6
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM541886 (US11267824, Example 96 | US11267824, Example 96a) Show SMILES CCc1sc2cncn2c1C(O)C1CCCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	39.9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TDO2: Recombinant human TDO comprising amino acids 19-407 with a N-terminal hexahistidine tag expressed in E. coli and purified to homogeneity is inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RB77T6
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50442991 (CHEMBL432537 | GNF-Pf-3777 | US10669273, Compound ...) Show SMILES [O-][N+](=O)c1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21 Show InChI InChI=1S/C15H7N3O4/c19-13-10-7-8(18(21)22)5-6-12(10)17-14(13)16-11-4-2-1-3-9(11)15(17)20/h1-7H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of TDO in human U87 MG cells using L-Trp as substrate after 8 hrs				Eur J Med Chem 160: 133-145 (2018) Article DOI: 10.1016/j.ejmech.2018.10.017 BindingDB Entry DOI: 10.7270/Q2GB27GB
					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	40	n/a	n/a	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))	BDBM480515 (US10899764, Example 41) Show SMILES OCCn1cc(cn1)-c1ccc(cc1)N1CCC(CC1)[C@H]1c2c(cccc2F)-c2cncn12 |r| Show InChI InChI=1S/C26H26FN5O/c27-23-3-1-2-22-24-15-28-17-32(24)26(25(22)23)19-8-10-30(11-9-19)21-6-4-18(5-7-21)20-14-29-31(16-20)12-13-33/h1-7,14-17,19,26,33H,8-13H2/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
JIANGSU HENGRUI MEDICINE CO., LTD.; SHANGHAI HENGRUI PHRMACEUTICAL CO., LTD. US Patent					Assay Description TDO: For testing, 24 μL of enzyme (TDO) was diluted 100 times with 50 mM KPB to 2400 μL. The concentration of the enzyme solution was 2.6 n...				US Patent US10899764 (2021) BindingDB Entry DOI: 10.7270/Q2MW2M8Z
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50556068 (CHEMBL4783159) Show SMILES O=C1c2nnn(c2C(=O)c2ccccc12)-c1ccc2[nH]ncc2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TDO (unknown origin) assessed as reduction in L-kynurenine formation using L-tryptophan as substrate incubated for 30 mins microplate s...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112703 BindingDB Entry DOI: 10.7270/Q2639TD7
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM541850 (US11267824, Example 48a) Show SMILES CC1(CCCC1)[C@H](O)c1c(sc2cncn12)C1CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	42.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TDO2: Recombinant human TDO comprising amino acids 19-407 with a N-terminal hexahistidine tag expressed in E. coli and purified to homogeneity is inc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RB77T6
					More data for this Ligand-Target Pair

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