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Patent code US9758505

Compile Data Set for Download or QSAR
Found 35 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339961
PNG
(5-(6-fluoro-1H-indol-3-yl)-N- methylpyridin-2-amin...)
Show SMILES CNc1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C14H12FN3/c1-16-14-5-2-9(7-18-14)12-8-17-13-6-10(15)3-4-11(12)13/h2-8,17H,1H3,(H,16,18)
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n/an/a 290n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339928
PNG
(6-fluoro-3-(6-methylpyridin-3- yl)-1H-indole | US9...)
Show SMILES Cc1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C14H11FN2/c1-9-2-3-10(7-16-9)13-8-17-14-6-11(15)4-5-12(13)14/h2-8,17H,1H3
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n/an/a 370n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339940
PNG
(5-(6-fluoro-1H-indol-3-yl)- N,N-dimethylpyridin-2-...)
Show SMILES CN(C)c1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C15H14FN3/c1-19(2)15-6-3-10(8-18-15)13-9-17-14-7-11(16)4-5-12(13)14/h3-9,17H,1-2H3
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n/an/a 380n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339957
PNG
(2-((5-(6-fluoro-1H-indol-3- yl)pyridin-2-yl)amino)...)
Show SMILES OCCNc1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C15H14FN3O/c16-11-2-3-12-13(9-18-14(12)7-11)10-1-4-15(19-8-10)17-5-6-20/h1-4,7-9,18,20H,5-6H2,(H,17,19)
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n/an/a 490n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339941
PNG
(4-(5-(6-fluoro-1H-indol-3- yl)pyridin-2-yl)morphol...)
Show SMILES Fc1ccc2c(c[nH]c2c1)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C17H16FN3O/c18-13-2-3-14-15(11-19-16(14)9-13)12-1-4-17(20-10-12)21-5-7-22-8-6-21/h1-4,9-11,19H,5-8H2
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n/an/a 540n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339955
PNG
(N1-(5-(6-fluoro-1H-indol-3- yl)pyridin-2-yl)-N2,N2...)
Show SMILES CN(C)CCNc1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C17H19FN4/c1-22(2)8-7-19-17-6-3-12(10-21-17)15-11-20-16-9-13(18)4-5-14(15)16/h3-6,9-11,20H,7-8H2,1-2H3,(H,19,21)
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n/an/a 540n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339929
PNG
(6-fluoro-3-(6-(piperidin-4- yloxy)pyridin-3-yl)-1H...)
Show SMILES Fc1ccc2c(c[nH]c2c1)-c1ccc(OC2CCNCC2)nc1
Show InChI InChI=1S/C18H18FN3O/c19-13-2-3-15-16(11-21-17(15)9-13)12-1-4-18(22-10-12)23-14-5-7-20-8-6-14/h1-4,9-11,14,20-21H,5-8H2
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n/an/a 560n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339953
PNG
(N-(3-((5-(6-fluoro-1H-indol-3- yl)pyridin-2-yl)ami...)
Show SMILES CS(=O)(=O)NCCCNc1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C17H19FN4O2S/c1-25(23,24)22-8-2-7-19-17-6-3-12(10-21-17)15-11-20-16-9-13(18)4-5-14(15)16/h3-6,9-11,20,22H,2,7-8H2,1H3,(H,19,21)
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n/an/a 620n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339943
PNG
(2-amino-1-(4-(5-(6-fluoro-1H- indol-3-yl)pyridin-2...)
Show SMILES NCC(=O)N1CCN(CC1)c1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C19H20FN5O/c20-14-2-3-15-16(12-22-17(15)9-14)13-1-4-18(23-11-13)24-5-7-25(8-6-24)19(26)10-21/h1-4,9,11-12,22H,5-8,10,21H2
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n/an/a 650n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339950
PNG
(5-(6-fluoro-1H-indol-3-yl)-N- (1-(methylsulfonyl)p...)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C19H21FN4O2S/c1-27(25,26)24-8-6-15(7-9-24)23-19-5-2-13(11-22-19)17-12-21-18-10-14(20)3-4-16(17)18/h2-5,10-12,15,21H,6-9H2,1H3,(H,22,23)
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n/an/a 650n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339956
PNG
(N-(2-((5-(6-fluoro-1H-indol-3- yl)pyridin-2-yl)ami...)
Show SMILES CS(=O)(=O)NCCNc1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C16H17FN4O2S/c1-24(22,23)21-7-6-18-16-5-2-11(9-20-16)14-10-19-15-8-12(17)3-4-13(14)15/h2-5,8-10,19,21H,6-7H2,1H3,(H,18,20)
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n/an/a 710n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339942
PNG
(6-fluoro-3-(6-(4- methylpiperazin-1-yl)pyridin- 3-...)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C18H19FN4/c1-22-6-8-23(9-7-22)18-5-2-13(11-21-18)16-12-20-17-10-14(19)3-4-15(16)17/h2-5,10-12,20H,6-9H2,1H3
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iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339938
PNG
(6-fluoro-3-(6-methoxypyridin- 3-yl)-1H-indole | US...)
Show SMILES COc1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C14H11FN2O/c1-18-14-5-2-9(7-17-14)12-8-16-13-6-10(15)3-4-11(12)13/h2-8,16H,1H3
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iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339960
PNG
(2-((5-(6-fluoro-1H-indol-3- yl)pyridin-2- yl)amino...)
Show SMILES NC(=O)CNc1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C15H13FN4O/c16-10-2-3-11-12(7-18-13(11)5-10)9-1-4-15(19-6-9)20-8-14(17)21/h1-7,18H,8H2,(H2,17,21)(H,19,20)
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iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339963
PNG
(6-fluoro-3-(pyridin-3-yl)-1H- indole | US9758505, ...)
Show SMILES Fc1ccc2c(c[nH]c2c1)-c1cccnc1
Show InChI InChI=1S/C13H9FN2/c14-10-3-4-11-12(8-16-13(11)6-10)9-2-1-5-15-7-9/h1-8,16H
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n/an/a 850n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339964
PNG
(6-fluoro-3-(2-methylpyridin-3- yl)-1H-indole | US9...)
Show SMILES Cc1ncccc1-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C14H11FN2/c1-9-11(3-2-6-16-9)13-8-17-14-7-10(15)4-5-12(13)14/h2-8,17H,1H3
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n/an/a 860n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339948
PNG
(5-(6-fluoro-1H-indol-3-yl)-N- (piperidin-4-yl)pyri...)
Show SMILES Fc1ccc2c(c[nH]c2c1)-c1ccc(NC2CCNCC2)nc1
Show InChI InChI=1S/C18H19FN4/c19-13-2-3-15-16(11-21-17(15)9-13)12-1-4-18(22-10-12)23-14-5-7-20-8-6-14/h1-4,9-11,14,20-21H,5-8H2,(H,22,23)
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n/an/a 870n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339951
PNG
(N-(3-((5-(6-fluoro-1H-indol-3- yl)pyridin-2- yl)am...)
Show SMILES CC(=O)NCCCNc1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C18H19FN4O/c1-12(24)20-7-2-8-21-18-6-3-13(10-23-18)16-11-22-17-9-14(19)4-5-15(16)17/h3-6,9-11,22H,2,7-8H2,1H3,(H,20,24)(H,21,23)
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n/an/a 870n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339945
PNG
(N-(1-(5-(6-fluoro-1H-indol-3- yl)pyridin-2-yl)pipe...)
Show SMILES CS(=O)(=O)NC1CCN(CC1)c1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C19H21FN4O2S/c1-27(25,26)23-15-6-8-24(9-7-15)19-5-2-13(11-22-19)17-12-21-18-10-14(20)3-4-16(17)18/h2-5,10-12,15,21,23H,6-9H2,1H3
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n/an/a 970n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339962
PNG
(N-(5-(6-fluoro-1H-indol-3- yl)pyridin-2-yl)acetami...)
Show SMILES CC(=O)Nc1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C15H12FN3O/c1-9(20)19-15-5-2-10(7-18-15)13-8-17-14-6-11(16)3-4-12(13)14/h2-8,17H,1H3,(H,18,19,20)
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n/an/a 1.00E+3n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339946
PNG
(5-(6-fluoro-1H-indol-3- yl)pyridin-2-amine | US975...)
Show SMILES Nc1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C13H10FN3/c14-9-2-3-10-11(7-16-12(10)5-9)8-1-4-13(15)17-6-8/h1-7,16H,(H2,15,17)
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n/an/a 1.10E+3n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339936
PNG
(6-fluoro-3-(6-((1- methylpiperidin-4- yl)oxy)pyrid...)
Show SMILES CN1CCC(CC1)Oc1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C19H20FN3O/c1-23-8-6-15(7-9-23)24-19-5-2-13(11-22-19)17-12-21-18-10-14(20)3-4-16(17)18/h2-5,10-12,15,21H,6-9H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339954
PNG
(5-(6-fluoro-1H-indol-3-yl)-N- (3-(methylsulfonyl)p...)
Show SMILES CS(=O)(=O)CCCNc1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C17H18FN3O2S/c1-24(22,23)8-2-7-19-17-6-3-12(10-21-17)15-11-20-16-9-13(18)4-5-14(15)16/h3-6,9-11,20H,2,7-8H2,1H3,(H,19,21)
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n/an/a 1.20E+3n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339939
PNG
(5-(6-fluoro-1H-indol-3-yl)-N- (1-(methylsulfonyl)p...)
Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C19H20FN3O3S/c1-27(24,25)23-8-6-15(7-9-23)26-19-5-2-13(11-22-19)17-12-21-18-10-14(20)3-4-16(17)18/h2-5,10-12,15,21H,6-9H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339958
PNG
(5-(6-fluoro-1H-indol-3-yl)-N- (2-(methylsulfonyl)e...)
Show SMILES CS(=O)(=O)CCNc1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C16H16FN3O2S/c1-23(21,22)7-6-18-16-5-2-11(9-20-16)14-10-19-15-8-12(17)3-4-13(14)15/h2-5,8-10,19H,6-7H2,1H3,(H,18,20)
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n/an/a 1.50E+3n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339947
PNG
(5-(5,6-difluoro-1H-indol-3- yl)pyridin-2-amine | U...)
Show SMILES Nc1ccc(cn1)-c1c[nH]c2cc(F)c(F)cc12
Show InChI InChI=1S/C13H9F2N3/c14-10-3-8-9(6-17-12(8)4-11(10)15)7-1-2-13(16)18-5-7/h1-6,17H,(H2,16,18)
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n/an/a 1.60E+3n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339959
PNG
(2-((5-(6-fluoro-1H-indol-3- yl)pyridin-2-yl)amino)...)
Show SMILES OC(=O)CNc1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C15H12FN3O2/c16-10-2-3-11-12(7-17-13(11)5-10)9-1-4-14(18-6-9)19-8-15(20)21/h1-7,17H,8H2,(H,18,19)(H,20,21)
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n/an/a 1.60E+3n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339944
PNG
(2-amino-N-(1-(5-(6-fluoro- 1H-indol-3-yl)pyridin-2...)
Show SMILES NCC(=O)NC1CCN(CC1)c1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C20H22FN5O/c21-14-2-3-16-17(12-23-18(16)9-14)13-1-4-19(24-11-13)26-7-5-15(6-8-26)25-20(27)10-22/h1-4,9,11-12,15,23H,5-8,10,22H2,(H,25,27)
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n/an/a 1.70E+3n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339966
PNG
(5,6-difluoro-3-(pyridin-3-yl)- 1H-indole | US97585...)
Show SMILES Fc1cc2[nH]cc(-c3cccnc3)c2cc1F
Show InChI InChI=1S/C13H8F2N2/c14-11-4-9-10(8-2-1-3-16-6-8)7-17-13(9)5-12(11)15/h1-7,17H
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n/an/a 2.80E+3n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339967
PNG
(6-fluoro-3-(5-methylpyridin-3- yl)-1H-indole | US9...)
Show SMILES Cc1cncc(c1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C14H11FN2/c1-9-4-10(7-16-6-9)13-8-17-14-5-11(15)2-3-12(13)14/h2-8,17H,1H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339949
PNG
(N-(1-ethylpiperidin-4-yl)-5-(6- fluoro-1H-indol-3-...)
Show SMILES CCN1CCC(CC1)Nc1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C20H23FN4/c1-2-25-9-7-16(8-10-25)24-20-6-3-14(12-23-20)18-13-22-19-11-15(21)4-5-17(18)19/h3-6,11-13,16,22H,2,7-10H2,1H3,(H,23,24)
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n/an/a 4.80E+3n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339968
PNG
(3-(6-fluoro-1H-indol-3- yl)pyridine 1-oxide | US97...)
Show SMILES [O-][n+]1cccc(c1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C13H9FN2O/c14-10-3-4-11-12(7-15-13(11)6-10)9-2-1-5-16(17)8-9/h1-8,15H
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n/an/a 1.10E+4n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339965
PNG
(6-fluoro-3-(4-methylpyridin-3- yl)-1H-indole | US9...)
Show SMILES Cc1ccncc1-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C14H11FN2/c1-9-4-5-16-7-12(9)13-8-17-14-6-10(15)2-3-11(13)14/h2-8,17H,1H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339969
PNG
(1-(5-(6-fluoro-1H-indol-3- yl)pyridin-2-yl)imidazo...)
Show SMILES Fc1ccc2c(c[nH]c2c1)-c1ccc(nc1)N1CCNC1=O
Show InChI InChI=1S/C16H13FN4O/c17-11-2-3-12-13(9-19-14(12)7-11)10-1-4-15(20-8-10)21-6-5-18-16(21)22/h1-4,7-9,19H,5-6H2,(H,18,22)
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iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM339937
PNG
(2-((5-(6-fluoro-1H-indol-3- yl)pyridin-2-yl)oxy)-N...)
Show SMILES CN(C)CCOc1ccc(cn1)-c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C17H18FN3O/c1-21(2)7-8-22-17-6-3-12(10-20-17)15-11-19-16-9-13(18)4-5-14(15)16/h3-6,9-11,19H,7-8H2,1-2H3
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n/an/a 3.90E+4n/an/an/an/an/an/a



iTeos Therapeutics

US Patent


Assay Description
The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Me...


US Patent US9758505 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q20V8FW9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%