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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Tryptophan 5-monooxygenase 1' AND taxid = 10116   
Target
(Institution)
LigandTarget
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-monooxygenase 1


(Rattus norvegicus)
BDBM50019143
PNG
(CHEMBL511275)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cc(OC(c2ccc(cc2)-c2cccc(F)c2)C(F)(F)F)nc(N)n1)C(O)=O
Show InChI InChI=1S/C27H22F4N4O3/c28-20-3-1-2-19(13-20)16-8-10-18(11-9-16)24(27(29,30)31)38-23-14-22(34-26(33)35-23)17-6-4-15(5-7-17)12-21(32)25(36)37/h1-11,13-14,21,24H,12,32H2,(H,36,37)(H2,33,34,35)/t21-,24?/m0/s1
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Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of TPH-1-mediated serotonin biosynthesis in rat RBL2H3 cells after 48 hrs by RP-HPLC analysis


Citation and Details
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Rattus norvegicus)
BDBM50019142
PNG
(CHEMBL3288777)
Show SMILES CCOC(=O)CNC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)Cc5nc6ccccc6nc5C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Show InChI InChI=1S/C40H55N3O3/c1-9-46-32(44)23-41-35(45)40-19-16-24(2)25(3)33(40)26-14-15-31-37(6)22-29-34(43-28-13-11-10-12-27(28)42-29)36(4,5)30(37)17-18-39(31,8)38(26,7)20-21-40/h10-14,24-25,30-31,33H,9,15-23H2,1-8H3,(H,41,45)/t24-,25+,30+,31-,33+,37+,38-,39-,40+/m1/s1
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n/an/a 6.22E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of TPH-1-mediated serotonin biosynthesis in rat RBL2H3 cells after 48 hrs by RP-HPLC analysis


Citation and Details
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 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
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


Citation and Details
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 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
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


Citation and Details
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 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
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


Citation and Details
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 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
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


Citation and Details
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 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
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


Citation and Details
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 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
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


Citation and Details
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 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
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


Citation and Details
More data for this
Ligand-Target Pair