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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50026399   
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 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243565
PNG
((S)-2-amino-3-(4-(5-(naphthalen-2-ylmethylamino)py...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cnc(NCc2ccc3ccccc3c2)cn1)C(O)=O |r|
Show InChI InChI=1S/C24H22N4O2/c25-21(24(29)30)12-16-5-9-19(10-6-16)22-14-28-23(15-26-22)27-13-17-7-8-18-3-1-2-4-20(18)11-17/h1-11,14-15,21H,12-13,25H2,(H,27,28)(H,29,30)/t21-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243613
PNG
((S)-2-Amino-3-(4-(4-amino-6-((naphthalene-2-ylmeth...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1nc(N)nc(NCc2ccc3ccccc3c2)n1)C(O)=O |r|
Show InChI InChI=1S/C23H22N6O2/c24-19(21(30)31)12-14-5-9-17(10-6-14)20-27-22(25)29-23(28-20)26-13-15-7-8-16-3-1-2-4-18(16)11-15/h1-11,19H,12-13,24H2,(H,30,31)(H3,25,26,27,28,29)/t19-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243618
PNG
((2S)-2-amino-3-(4-(2-amino-6-(2,2,2-trifluoro-1-(2...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cc(OC(c2ccccc2-c2ccco2)C(F)(F)F)nc(N)n1)C(O)=O |r|
Show InChI InChI=1S/C25H21F3N4O4/c26-25(27,28)22(17-5-2-1-4-16(17)20-6-3-11-35-20)36-21-13-19(31-24(30)32-21)15-9-7-14(8-10-15)12-18(29)23(33)34/h1-11,13,18,22H,12,29H2,(H,33,34)(H2,30,31,32)/t18-,22?/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243020
PNG
((S)-2-amino-3-(4-(4-amino-6-((R)-1-(naphthalen-2-y...)
Show SMILES C[C@@H](Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C24H24N6O2/c1-14(18-11-10-16-4-2-3-5-19(16)13-18)27-24-29-21(28-23(26)30-24)17-8-6-15(7-9-17)12-20(25)22(31)32/h2-11,13-14,20H,12,25H2,1H3,(H,31,32)(H3,26,27,28,29,30)/t14-,20+/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243619
PNG
((S) -2-amino-3-[4-(2-amino-6-[2,2,2-trifluoro-1-(2...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cc(OC(c2ccccc2-n2ccc(n2)C(F)(F)F)C(F)(F)F)nc(N)n1)C(O)=O |r|
Show InChI InChI=1S/C25H20F6N6O3/c26-24(27,28)19-9-10-37(36-19)18-4-2-1-3-15(18)21(25(29,30)31)40-20-12-17(34-23(33)35-20)14-7-5-13(6-8-14)11-16(32)22(38)39/h1-10,12,16,21H,11,32H2,(H,38,39)(H2,33,34,35)/t16-,21?/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50242929
PNG
((S)-2-amino-3-(4-(5-((9-ethyl-9H-carbazol-3-yl)met...)
Show SMILES CCn1c2ccccc2c2cc(CNc3cnc(cn3)-c3ccc(C[C@H](N)C(O)=O)cc3)ccc12 |r|
Show InChI InChI=1S/C28H27N5O2/c1-2-33-25-6-4-3-5-21(25)22-13-19(9-12-26(22)33)15-31-27-17-30-24(16-32-27)20-10-7-18(8-11-20)14-23(29)28(34)35/h3-13,16-17,23H,2,14-15,29H2,1H3,(H,31,32)(H,34,35)/t23-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243022
PNG
((S)-2-amino-3-(4-(2-amino-6-((R)-1-(naphthalen-2-y...)
Show SMILES C[C@@H](Nc1cc(nc(N)n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C25H25N5O2/c1-15(19-11-10-17-4-2-3-5-20(17)13-19)28-23-14-22(29-25(27)30-23)18-8-6-16(7-9-18)12-21(26)24(31)32/h2-11,13-15,21H,12,26H2,1H3,(H,31,32)(H3,27,28,29,30)/t15-,21+/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243019
PNG
((S)-2-amino-3-(4-(5-((2'-methylbiphenyl-2-yl)methy...)
Show SMILES Cc1ccccc1-c1ccccc1CNc1cnc(cn1)-c1ccc(C[C@H](N)C(O)=O)cc1 |r|
Show InChI InChI=1S/C27H26N4O2/c1-18-6-2-4-8-22(18)23-9-5-3-7-21(23)15-30-26-17-29-25(16-31-26)20-12-10-19(11-13-20)14-24(28)27(32)33/h2-13,16-17,24H,14-15,28H2,1H3,(H,30,31)(H,32,33)/t24-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243018
PNG
((S)-2-Amino-3-(4-{5-[(biphenyl-4-ylmethyl)-amino]-...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cnc(NCc2ccc(cc2)-c2ccccc2)cn1)C(O)=O |r|
Show InChI InChI=1S/C26H24N4O2/c27-23(26(31)32)14-18-6-12-22(13-7-18)24-16-30-25(17-28-24)29-15-19-8-10-21(11-9-19)20-4-2-1-3-5-20/h1-13,16-17,23H,14-15,27H2,(H,29,30)(H,31,32)/t23-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50242928
PNG
((S)-2-amino-3-{4-[5-(3-cyclopentyloxy-4-methoxy-be...)
Show SMILES COc1ccc(CNc2cnc(cn2)-c2ccc(C[C@H](N)C(O)=O)cc2)c(OC2CCCC2)c1 |r|
Show InChI InChI=1S/C26H30N4O4/c1-33-21-11-10-19(24(13-21)34-20-4-2-3-5-20)14-29-25-16-28-23(15-30-25)18-8-6-17(7-9-18)12-22(27)26(31)32/h6-11,13,15-16,20,22H,2-5,12,14,27H2,1H3,(H,29,30)(H,31,32)/t22-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243564
PNG
((2S)-2-amino-3-(4-(5-((1,2,3,4-tetrahydronaphthale...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cnc(NCC2CCc3ccccc3C2)cn1)C(O)=O |r|
Show InChI InChI=1S/C24H26N4O2/c25-21(24(29)30)12-16-5-9-19(10-6-16)22-14-28-23(15-26-22)27-13-17-7-8-18-3-1-2-4-20(18)11-17/h1-6,9-10,14-15,17,21H,7-8,11-13,25H2,(H,27,28)(H,29,30)/t17?,21-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243655
PNG
((2S)-2-amino-3-(4-(2-amino-6-(2,2,2-trifluoro-1-(3...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cc(OC(c2sccc2-c2ccco2)C(F)(F)F)nc(N)n1)C(O)=O |r|
Show InChI InChI=1S/C23H19F3N4O4S/c24-23(25,26)20(19-14(7-9-35-19)17-2-1-8-33-17)34-18-11-16(29-22(28)30-18)13-5-3-12(4-6-13)10-15(27)21(31)32/h1-9,11,15,20H,10,27H2,(H,31,32)(H2,28,29,30)/t15-,20?/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50242930
PNG
((S)-2-amino-3-(4-(5-(3,4-dimethoxybenzylamino)pyra...)
Show SMILES COc1ccc(CNc2cnc(cn2)-c2ccc(C[C@H](N)C(O)=O)cc2)cc1OC |r|
Show InChI InChI=1S/C22H24N4O4/c1-29-19-8-5-15(10-20(19)30-2)11-25-21-13-24-18(12-26-21)16-6-3-14(4-7-16)9-17(23)22(27)28/h3-8,10,12-13,17H,9,11,23H2,1-2H3,(H,25,26)(H,27,28)/t17-/m0/s1
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n/an/a 69n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243617
PNG
((S)-2-Amino-3-(4-{2-amino-6-[2,2,2-trifluoro-1-(3'...)
Show SMILES Cc1cccc(c1)-c1ccccc1C(Oc1cc(nc(N)n1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C28H25F3N4O3/c1-16-5-4-6-19(13-16)20-7-2-3-8-21(20)25(28(29,30)31)38-24-15-23(34-27(33)35-24)18-11-9-17(10-12-18)14-22(32)26(36)37/h2-13,15,22,25H,14,32H2,1H3,(H,36,37)(H2,33,34,35)/t22-,25?/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243507
PNG
((S)-2-amino-3-(4-(5-(4-cyanobenzylamino)pyrazin-2-...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cnc(NCc2ccc(cc2)C#N)cn1)C(O)=O |r|
Show InChI InChI=1S/C21H19N5O2/c22-10-15-1-3-16(4-2-15)11-25-20-13-24-19(12-26-20)17-7-5-14(6-8-17)9-18(23)21(27)28/h1-8,12-13,18H,9,11,23H2,(H,25,26)(H,27,28)/t18-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243024
PNG
((2S)-2-amino-3-(4-(2-amino-6-(2,2,2-trifluoro-1-(n...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cc(OC(c2ccc3ccccc3c2)C(F)(F)F)nc(N)n1)C(O)=O |r|
Show InChI InChI=1S/C25H21F3N4O3/c26-25(27,28)22(18-10-9-15-3-1-2-4-17(15)12-18)35-21-13-20(31-24(30)32-21)16-7-5-14(6-8-16)11-19(29)23(33)34/h1-10,12-13,19,22H,11,29H2,(H,33,34)(H2,30,31,32)/t19-,22?/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243563
PNG
((S)-2-amino-3-(4-{5-[(quinolin-3-ylmethyl)-amino]-...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cnc(NCc2cnc3ccccc3c2)cn1)C(O)=O |r|
Show InChI InChI=1S/C23H21N5O2/c24-19(23(29)30)10-15-5-7-17(8-6-15)21-13-28-22(14-26-21)27-12-16-9-18-3-1-2-4-20(18)25-11-16/h1-9,11,13-14,19H,10,12,24H2,(H,27,28)(H,29,30)/t19-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243021
PNG
(2-Amino-3-(4-(4-amino-6-(R)-1-(naphthalene-2-yl)et...)
Show SMILES C[C@@H](Nc1nc(N)nc(n1)-c1ccc(CC(N)C(O)=O)c(F)c1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C24H23FN6O2/c1-13(15-7-6-14-4-2-3-5-16(14)10-15)28-24-30-21(29-23(27)31-24)18-9-8-17(19(25)11-18)12-20(26)22(32)33/h2-11,13,20H,12,26H2,1H3,(H,32,33)(H3,27,28,29,30,31)/t13-,20?/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243505
PNG
((S)-2-amino-3-(4-(5-(cyclohexylmethylamino)pyrazin...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cnc(NCC2CCCCC2)cn1)C(O)=O |r|
Show InChI InChI=1S/C20H26N4O2/c21-17(20(25)26)10-14-6-8-16(9-7-14)18-12-24-19(13-22-18)23-11-15-4-2-1-3-5-15/h6-9,12-13,15,17H,1-5,10-11,21H2,(H,23,24)(H,25,26)/t17-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243023
PNG
((S)-2-amino-3-(4-(2-amino-6-((R)-1-(naphthalen-2-y...)
Show SMILES C[C@@H](Oc1cc(nc(N)n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C25H24N4O3/c1-15(19-11-10-17-4-2-3-5-20(17)13-19)32-23-14-22(28-25(27)29-23)18-8-6-16(7-9-18)12-21(26)24(30)31/h2-11,13-15,21H,12,26H2,1H3,(H,30,31)(H2,27,28,29)/t15-,21+/m1/s1
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n/an/a 380n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243568
PNG
((S)-2-amino-3-(1-(4-amino-6-((R)-1-(naphthalen-2-y...)
Show SMILES C[C@@H](Nc1nc(N)nc(n1)N1CCC(C[C@H](N)C(O)=O)CC1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C23H29N7O2/c1-14(17-7-6-16-4-2-3-5-18(16)13-17)26-22-27-21(25)28-23(29-22)30-10-8-15(9-11-30)12-19(24)20(31)32/h2-7,13-15,19H,8-12,24H2,1H3,(H,31,32)(H3,25,26,27,28,29)/t14-,19+/m1/s1
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n/an/a 770n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243567
PNG
((S)-2-amino-3-(5-(4-amino-6-((R)-1-(naphthalen-1-y...)
Show SMILES C[C@@H](Nc1nc(N)nc(n1)-c1ccc(CC(N)C(O)=O)nc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C23H23N7O2/c1-13(15-7-6-14-4-2-3-5-16(14)10-15)27-23-29-20(28-22(25)30-23)17-8-9-18(26-12-17)11-19(24)21(31)32/h2-10,12-13,19H,11,24H2,1H3,(H,31,32)(H3,25,27,28,29,30)/t13-,19?/m1/s1
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n/an/a 890n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243506
PNG
((S)-2-amino-3-(4-(5-(furan-3-ylmethyl amino)pyrazi...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cnc(NCc2ccoc2)cn1)C(O)=O |r|
Show InChI InChI=1S/C18H18N4O3/c19-15(18(23)24)7-12-1-3-14(4-2-12)16-9-22-17(10-20-16)21-8-13-5-6-25-11-13/h1-6,9-11,15H,7-8,19H2,(H,21,22)(H,23,24)/t15-/m0/s1
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n/an/a 960n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50242932
PNG
((S)-2-amino-3-(4-(6-(3-(cyclopentyloxy)-4-methoxyb...)
Show SMILES COc1ccc(CNc2ccc(nn2)-c2ccc(C[C@H](N)C(O)=O)cc2)cc1OC1CCCC1 |r|
Show InChI InChI=1S/C26H30N4O4/c1-33-23-12-8-18(15-24(23)34-20-4-2-3-5-20)16-28-25-13-11-22(29-30-25)19-9-6-17(7-10-19)14-21(27)26(31)32/h6-13,15,20-21H,2-5,14,16,27H2,1H3,(H,28,30)(H,31,32)/t21-/m0/s1
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n/an/a 970n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243615
PNG
(3-amino-3-(4-(4-amino-6-((S)-1-naphthalen-2-yl)eth...)
Show SMILES C[C@@H](Nc1nc(N)nc(n1)-c1ccc(cc1)C(N)CC(O)=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C24H24N6O2/c1-14(18-11-6-15-4-2-3-5-19(15)12-18)27-24-29-22(28-23(26)30-24)17-9-7-16(8-10-17)20(25)13-21(31)32/h2-12,14,20H,13,25H2,1H3,(H,31,32)(H3,26,27,28,29,30)/t14-,20?/m1/s1
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n/an/a 3.77E+3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243562
PNG
((S)-2-amino-3-(4-(5-(pyridine-2-ylmethylamino)pyra...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cnc(NCc2ccccn2)cn1)C(O)=O |r|
Show InChI InChI=1S/C19H19N5O2/c20-16(19(25)26)9-13-4-6-14(7-5-13)17-11-24-18(12-22-17)23-10-15-3-1-2-8-21-15/h1-8,11-12,16H,9-10,20H2,(H,23,24)(H,25,26)/t16-/m0/s1
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n/an/a 6.15E+3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50242933
PNG
((S)-2-amino-3-(4-(5-((9-ethyl-9H-carbazol-3-yl)met...)
Show SMILES CCn1c2ccccc2c2cc(CNc3ccc(nc3)-c3ccc(C[C@H](N)C(O)=O)cc3)ccc12 |r|
Show InChI InChI=1S/C29H28N4O2/c1-2-33-27-6-4-3-5-23(27)24-15-20(9-14-28(24)33)17-31-22-12-13-26(32-18-22)21-10-7-19(8-11-21)16-25(30)29(34)35/h3-15,18,25,31H,2,16-17,30H2,1H3,(H,34,35)/t25-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243616
PNG
((S)-2-amino-3-(4'-(3-(cyclopentyloxy)-4-methoxy be...)
Show SMILES COc1ccc(CNc2ccc(cc2)-c2ccc(C[C@H](N)C(O)=O)cc2)cc1OC1CCCC1 |r|
Show InChI InChI=1S/C28H32N2O4/c1-33-26-15-8-20(17-27(26)34-24-4-2-3-5-24)18-30-23-13-11-22(12-14-23)21-9-6-19(7-10-21)16-25(29)28(31)32/h6-15,17,24-25,30H,2-5,16,18,29H2,1H3,(H,31,32)/t25-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243566
PNG
(2-amino-3-(4(4-amino-6-(R)-1-(naphthalene-2-yl)eth...)
Show SMILES C[C@@H](Nc1nc(N)nc(n1)-c1cccc(CC(N)C(O)=O)c1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C24H24N6O2/c1-14(17-10-9-16-6-2-3-7-18(16)13-17)27-24-29-21(28-23(26)30-24)19-8-4-5-15(11-19)12-20(25)22(31)32/h2-11,13-14,20H,12,25H2,1H3,(H,31,32)(H3,26,27,28,29,30)/t14-,20?/m1/s1
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n/an/a>1.10E+4n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243614
PNG
(2-amino-3-(4-(4-amino-6-(R)-1-(naphthalene-2-yl)et...)
Show SMILES C[C@@H](Nc1nc(N)nc(n1)-c1ccc(CC(C)(N)C(O)=O)cc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C25H26N6O2/c1-15(19-12-11-17-5-3-4-6-20(17)13-19)28-24-30-21(29-23(26)31-24)18-9-7-16(8-10-18)14-25(2,27)22(32)33/h3-13,15H,14,27H2,1-2H3,(H,32,33)(H3,26,28,29,30,31)/t15-,25?/m1/s1
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n/an/a 1.11E+4n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243569
PNG
((S)-2-amino-3-(3-(4-amino-6-((R)-1-(naphthalen-1-y...)
Show SMILES C[C@@H](Nc1nc(N)nc(n1)-c1ccn(C[C@H](N)C(O)=O)n1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C21H22N8O2/c1-12(14-7-6-13-4-2-3-5-15(13)10-14)24-21-26-18(25-20(23)27-21)17-8-9-29(28-17)11-16(22)19(30)31/h2-10,12,16H,11,22H2,1H3,(H,30,31)(H3,23,24,25,26,27)/t12-,16+/m1/s1
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n/an/a 1.26E+4n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Rattus norvegicus)
BDBM50243023
PNG
((S)-2-amino-3-(4-(2-amino-6-((R)-1-(naphthalen-2-y...)
Show SMILES C[C@@H](Oc1cc(nc(N)n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C25H24N4O3/c1-15(19-11-10-17-4-2-3-5-20(17)13-19)32-23-14-22(28-25(27)29-23)18-8-6-16(7-9-18)12-21(26)24(30)31/h2-11,13-15,21H,12,26H2,1H3,(H,30,31)(H2,27,28,29)/t15-,21+/m1/s1
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n/an/an/an/a 1.10E+4n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 in RBL cells assessed as inhibition of serotonin biosynthesis


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Rattus norvegicus)
BDBM50243024
PNG
((2S)-2-amino-3-(4-(2-amino-6-(2,2,2-trifluoro-1-(n...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cc(OC(c2ccc3ccccc3c2)C(F)(F)F)nc(N)n1)C(O)=O |r|
Show InChI InChI=1S/C25H21F3N4O3/c26-25(27,28)22(18-10-9-15-3-1-2-4-17(15)12-18)35-21-13-20(31-24(30)32-21)16-7-5-14(6-8-16)11-19(29)23(33)34/h1-10,12-13,19,22H,11,29H2,(H,33,34)(H2,30,31,32)/t19-,22?/m0/s1
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n/an/an/an/a 510n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 in RBL cells assessed as inhibition of serotonin biosynthesis


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Rattus norvegicus)
BDBM50243617
PNG
((S)-2-Amino-3-(4-{2-amino-6-[2,2,2-trifluoro-1-(3'...)
Show SMILES Cc1cccc(c1)-c1ccccc1C(Oc1cc(nc(N)n1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C28H25F3N4O3/c1-16-5-4-6-19(13-16)20-7-2-3-8-21(20)25(28(29,30)31)38-24-15-23(34-27(33)35-24)18-11-9-17(10-12-18)14-22(32)26(36)37/h2-13,15,22,25H,14,32H2,1H3,(H,36,37)(H2,33,34,35)/t22-,25?/m0/s1
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n/an/an/an/a 56n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 in RBL cells assessed as inhibition of serotonin biosynthesis


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Rattus norvegicus)
BDBM50243618
PNG
((2S)-2-amino-3-(4-(2-amino-6-(2,2,2-trifluoro-1-(2...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cc(OC(c2ccccc2-c2ccco2)C(F)(F)F)nc(N)n1)C(O)=O |r|
Show InChI InChI=1S/C25H21F3N4O4/c26-25(27,28)22(17-5-2-1-4-16(17)20-6-3-11-35-20)36-21-13-19(31-24(30)32-21)15-9-7-14(8-10-15)12-18(29)23(33)34/h1-11,13,18,22H,12,29H2,(H,33,34)(H2,30,31,32)/t18-,22?/m0/s1
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n/an/an/an/a 48n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 in RBL cells assessed as inhibition of serotonin biosynthesis


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Rattus norvegicus)
BDBM50243619
PNG
((S) -2-amino-3-[4-(2-amino-6-[2,2,2-trifluoro-1-(2...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cc(OC(c2ccccc2-n2ccc(n2)C(F)(F)F)C(F)(F)F)nc(N)n1)C(O)=O |r|
Show InChI InChI=1S/C25H20F6N6O3/c26-24(27,28)19-9-10-37(36-19)18-4-2-1-3-15(18)21(25(29,30)31)40-20-12-17(34-23(33)35-20)14-7-5-13(6-8-14)11-16(32)22(38)39/h1-10,12,16,21H,11,32H2,(H,38,39)(H2,33,34,35)/t16-,21?/m0/s1
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n/an/an/an/a 70n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 in RBL cells assessed as inhibition of serotonin biosynthesis


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Rattus norvegicus)
BDBM50243655
PNG
((2S)-2-amino-3-(4-(2-amino-6-(2,2,2-trifluoro-1-(3...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cc(OC(c2sccc2-c2ccco2)C(F)(F)F)nc(N)n1)C(O)=O |r|
Show InChI InChI=1S/C23H19F3N4O4S/c24-23(25,26)20(19-14(7-9-35-19)17-2-1-8-33-17)34-18-11-16(29-22(28)30-18)13-5-3-12(4-6-13)10-15(27)21(31)32/h1-9,11,15,20H,10,27H2,(H,31,32)(H2,28,29,30)/t15-,20?/m0/s1
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n/an/an/an/a 63n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 in RBL cells assessed as inhibition of serotonin biosynthesis


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Rattus norvegicus)
BDBM50243022
PNG
((S)-2-amino-3-(4-(2-amino-6-((R)-1-(naphthalen-2-y...)
Show SMILES C[C@@H](Nc1cc(nc(N)n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C25H25N5O2/c1-15(19-11-10-17-4-2-3-5-20(17)13-19)28-23-14-22(29-25(27)30-23)18-8-6-16(7-9-18)12-21(26)24(31)32/h2-11,13-15,21H,12,26H2,1H3,(H,31,32)(H3,27,28,29,30)/t15-,21+/m1/s1
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n/an/an/an/a 1.70E+3n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 in RBL cells assessed as inhibition of serotonin biosynthesis


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 2


(Homo sapiens (Human))
BDBM50243618
PNG
((2S)-2-amino-3-(4-(2-amino-6-(2,2,2-trifluoro-1-(2...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cc(OC(c2ccccc2-c2ccco2)C(F)(F)F)nc(N)n1)C(O)=O |r|
Show InChI InChI=1S/C25H21F3N4O4/c26-25(27,28)22(17-5-2-1-4-16(17)20-6-3-11-35-20)36-21-13-19(31-24(30)32-21)15-9-7-14(8-10-15)12-18(29)23(33)34/h1-11,13,18,22H,12,29H2,(H,33,34)(H2,30,31,32)/t18-,22?/m0/s1
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n/an/an/an/a 800n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH2 in human BON cells assessed as inhibition of serotonin biosynthesis


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 2


(Homo sapiens (Human))
BDBM50243617
PNG
((S)-2-Amino-3-(4-{2-amino-6-[2,2,2-trifluoro-1-(3'...)
Show SMILES Cc1cccc(c1)-c1ccccc1C(Oc1cc(nc(N)n1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C28H25F3N4O3/c1-16-5-4-6-19(13-16)20-7-2-3-8-21(20)25(28(29,30)31)38-24-15-23(34-27(33)35-24)18-11-9-17(10-12-18)14-22(32)26(36)37/h2-13,15,22,25H,14,32H2,1H3,(H,36,37)(H2,33,34,35)/t22-,25?/m0/s1
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n/an/an/an/a 560n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH2 in human BON cells assessed as inhibition of serotonin biosynthesis


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 2


(Homo sapiens (Human))
BDBM50243655
PNG
((2S)-2-amino-3-(4-(2-amino-6-(2,2,2-trifluoro-1-(3...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cc(OC(c2sccc2-c2ccco2)C(F)(F)F)nc(N)n1)C(O)=O |r|
Show InChI InChI=1S/C23H19F3N4O4S/c24-23(25,26)20(19-14(7-9-35-19)17-2-1-8-33-17)34-18-11-16(29-22(28)30-18)13-5-3-12(4-6-13)10-15(27)21(31)32/h1-9,11,15,20H,10,27H2,(H,31,32)(H2,28,29,30)/t15-,20?/m0/s1
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n/an/an/an/a 1.19E+3n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH2 in human BON cells assessed as inhibition of serotonin biosynthesis


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 2


(Homo sapiens (Human))
BDBM50243619
PNG
((S) -2-amino-3-[4-(2-amino-6-[2,2,2-trifluoro-1-(2...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cc(OC(c2ccccc2-n2ccc(n2)C(F)(F)F)C(F)(F)F)nc(N)n1)C(O)=O |r|
Show InChI InChI=1S/C25H20F6N6O3/c26-24(27,28)19-9-10-37(36-19)18-4-2-1-3-15(18)21(25(29,30)31)40-20-12-17(34-23(33)35-20)14-7-5-13(6-8-14)11-16(32)22(38)39/h1-10,12,16,21H,11,32H2,(H,38,39)(H2,33,34,35)/t16-,21?/m0/s1
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n/an/an/an/a 750n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH2 in human BON cells assessed as inhibition of serotonin biosynthesis


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair