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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tryptophan 5-hydroxylase 1' and Ligand = 'BDBM50145648'   
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))
BDBM50145648
PNG
(LP-778902 | LX1032 | LX1606 | Telotristat | Xermel...)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H22ClF3N6O3/c1-13-8-9-35(34-13)20-11-16(26)6-7-17(20)22(25(27,28)29)38-21-12-19(32-24(31)33-21)15-4-2-14(3-5-15)10-18(30)23(36)37/h2-9,11-12,18,22H,10,30H2,1H3,(H,36,37)(H2,31,32,33)/t18-,22+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 1124-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.064
BindingDB Entry DOI: 10.7270/Q2WD42DJ
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50145648
PNG
(LP-778902 | LX1032 | LX1606 | Telotristat | Xermel...)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H22ClF3N6O3/c1-13-8-9-35(34-13)20-11-16(26)6-7-17(20)22(25(27,28)29)38-21-12-19(32-24(31)33-21)15-4-2-14(3-5-15)10-18(30)23(36)37/h2-9,11-12,18,22H,10,30H2,1H3,(H,36,37)(H2,31,32,33)/t18-,22+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 2855-2860 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.057
BindingDB Entry DOI: 10.7270/Q2SN0BW3
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50145648
PNG
(LP-778902 | LX1032 | LX1606 | Telotristat | Xermel...)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H22ClF3N6O3/c1-13-8-9-35(34-13)20-11-16(26)6-7-17(20)22(25(27,28)29)38-21-12-19(32-24(31)33-21)15-4-2-14(3-5-15)10-18(30)23(36)37/h2-9,11-12,18,22H,10,30H2,1H3,(H,36,37)(H2,31,32,33)/t18-,22+/m0/s1
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n/an/a 64n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Tryptophan hydroxylase 1 (unknown origin) incubated for 4 hrs by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01560
BindingDB Entry DOI: 10.7270/Q2J106VM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50145648
PNG
(LP-778902 | LX1032 | LX1606 | Telotristat | Xermel...)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H22ClF3N6O3/c1-13-8-9-35(34-13)20-11-16(26)6-7-17(20)22(25(27,28)29)38-21-12-19(32-24(31)33-21)15-4-2-14(3-5-15)10-18(30)23(36)37/h2-9,11-12,18,22H,10,30H2,1H3,(H,36,37)(H2,31,32,33)/t18-,22+/m0/s1
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n/an/a 770n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00598
BindingDB Entry DOI: 10.7270/Q2G164VF
More data for this
Ligand-Target Pair