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PubMed code 26821821

Compile data set for download or QSAR
Found 38 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 5-hydroxylase 1


(Homo sapiens)
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
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)
BDBM50145634
PNG
(CHEMBL3764999)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C25H27ClF3N7O3/c1-14-4-7-36(34-14)18-10-15(26)2-3-16(18)21(25(27,28)29)39-20-11-19(32-23(30)33-20)35-8-5-24(6-9-35)12-17(22(37)38)31-13-24/h2-4,7,10-11,17,21,31H,5-6,8-9,12-13H2,1H3,(H,37,38)(H2,30,32,33)/t17-,21+/m0/s1
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n/an/a 26n/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)
BDBM50145635
PNG
(CHEMBL3764206)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CCN(C[C@H](N)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C23H26ClF3N8O3/c1-13-4-5-35(32-13)17-10-14(24)2-3-15(17)20(23(25,26)27)38-19-11-18(30-22(29)31-19)34-8-6-33(7-9-34)12-16(28)21(36)37/h2-5,10-11,16,20H,6-9,12,28H2,1H3,(H,36,37)(H2,29,30,31)/t16-,20+/m0/s1
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n/an/a 50n/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)
BDBM50145636
PNG
(CHEMBL3764034)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CCC2(CNC(C2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C25H27ClF3N7O3/c1-14-4-7-36(34-14)18-10-15(26)2-3-16(18)21(25(27,28)29)39-20-11-19(32-23(30)33-20)35-8-5-24(6-9-35)12-17(22(37)38)31-13-24/h2-4,7,10-11,17,21,31H,5-6,8-9,12-13H2,1H3,(H,37,38)(H2,30,32,33)/t17?,21-/m1/s1
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n/an/a 55n/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)
BDBM50145672
PNG
(CHEMBL3763889)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(C)n1)N1CCC2(CNC(C2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C26H28ClF3N6O3/c1-15-5-8-36(34-15)20-11-17(27)3-4-18(20)23(26(28,29)30)39-22-12-21(32-16(2)33-22)35-9-6-25(7-10-35)13-19(24(37)38)31-14-25/h3-5,8,11-12,19,23,31H,6-7,9-10,13-14H2,1-2H3,(H,37,38)/t19?,23-/m1/s1
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n/an/a 65n/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)
BDBM50145673
PNG
(CHEMBL3765147)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(NC2CCCCC2)n1)N1CCC2(CNC(C2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C31H37ClF3N7O3/c1-19-9-12-42(40-19)24-15-20(32)7-8-22(24)27(31(33,34)35)45-26-16-25(38-29(39-26)37-21-5-3-2-4-6-21)41-13-10-30(11-14-41)17-23(28(43)44)36-18-30/h7-9,12,15-16,21,23,27,36H,2-6,10-11,13-14,17-18H2,1H3,(H,43,44)(H,37,38,39)/t23?,27-/m1/s1
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n/an/a 79n/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)
BDBM50145637
PNG
(CHEMBL3765301)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CC2CCC(C1)N2C[C@H](N)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C25H28ClF3N8O3/c1-13-6-7-37(34-13)19-8-14(26)2-5-17(19)22(25(27,28)29)40-21-9-20(32-24(31)33-21)35-10-15-3-4-16(11-35)36(15)12-18(30)23(38)39/h2,5-9,15-16,18,22H,3-4,10-12,30H2,1H3,(H,38,39)(H2,31,32,33)/t15?,16?,18-,22+/m0/s1
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n/an/a 96n/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)
BDBM50145649
PNG
(CHEMBL3764908)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(Oc2ccccc2)n1)N1CCC2(CNC(C2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C31H30ClF3N6O4/c1-19-9-12-41(39-19)24-15-20(32)7-8-22(24)27(31(33,34)35)45-26-16-25(37-29(38-26)44-21-5-3-2-4-6-21)40-13-10-30(11-14-40)17-23(28(42)43)36-18-30/h2-9,12,15-16,23,27,36H,10-11,13-14,17-18H2,1H3,(H,42,43)/t23?,27-/m1/s1
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n/an/a 128n/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)
BDBM50145650
PNG
(CHEMBL3765094)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1ccnc(c1)N1CCC2(CNC(C2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C26H27ClF3N5O3/c1-16-5-9-35(33-16)21-12-17(27)2-3-19(21)23(26(28,29)30)38-18-4-8-31-22(13-18)34-10-6-25(7-11-34)14-20(24(36)37)32-15-25/h2-5,8-9,12-13,20,23,32H,6-7,10-11,14-15H2,1H3,(H,36,37)/t20?,23-/m1/s1
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n/an/a 211n/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)
BDBM50145638
PNG
(CHEMBL3765770)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CCCN(C[C@H](N)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28ClF3N8O3/c1-14-5-8-36(33-14)18-11-15(25)3-4-16(18)21(24(26,27)28)39-20-12-19(31-23(30)32-20)35-7-2-6-34(9-10-35)13-17(29)22(37)38/h3-5,8,11-12,17,21H,2,6-7,9-10,13,29H2,1H3,(H,37,38)(H2,30,31,32)/t17-,21+/m0/s1
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n/an/a 211n/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)
BDBM50145639
PNG
(CHEMBL3764448)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CC2CCC(C1)C2NCC(O)=O)C(F)(F)F
Show InChI InChI=1S/C25H27ClF3N7O3/c1-13-6-7-36(34-13)18-8-16(26)4-5-17(18)23(25(27,28)29)39-20-9-19(32-24(30)33-20)35-11-14-2-3-15(12-35)22(14)31-10-21(37)38/h4-9,14-15,22-23,31H,2-3,10-12H2,1H3,(H,37,38)(H2,30,32,33)/t14?,15?,22?,23-/m1/s1
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n/an/a 361n/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)
BDBM50145640
PNG
(CHEMBL3764208)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CC2CCC1CN2C[C@H](N)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C25H28ClF3N8O3/c1-13-6-7-37(34-13)19-8-14(26)2-5-17(19)22(25(27,28)29)40-21-9-20(32-24(31)33-21)36-11-15-3-4-16(36)10-35(15)12-18(30)23(38)39/h2,5-9,15-16,18,22H,3-4,10-12,30H2,1H3,(H,38,39)(H2,31,32,33)/t15?,16?,18-,22+/m0/s1
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n/an/a 449n/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)
BDBM50145641
PNG
(CHEMBL3765608)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1C2CCC1CN(C[C@H](N)C(O)=O)C2)C(F)(F)F
Show InChI InChI=1S/C25H28ClF3N8O3/c1-13-6-7-36(34-13)19-8-14(26)2-5-17(19)22(25(27,28)29)40-21-9-20(32-24(31)33-21)37-15-3-4-16(37)11-35(10-15)12-18(30)23(38)39/h2,5-9,15-16,18,22H,3-4,10-12,30H2,1H3,(H,38,39)(H2,31,32,33)/t15?,16?,18-,22+/m0/s1
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n/an/a 519n/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)
BDBM50145651
PNG
(CHEMBL3764555)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(O)n1)N1CCC2(CNC(C2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C25H26ClF3N6O4/c1-14-4-7-35(33-14)18-10-15(26)2-3-16(18)21(25(27,28)29)39-20-11-19(31-23(38)32-20)34-8-5-24(6-9-34)12-17(22(36)37)30-13-24/h2-4,7,10-11,17,21,30H,5-6,8-9,12-13H2,1H3,(H,36,37)(H,31,32,38)/t17?,21-/m1/s1
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n/an/a 583n/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)
BDBM50145647
PNG
(CHEMBL3764524)
Show SMILES CN1CC2(C[C@H]1C(O)=O)CCN(CC2)c1cc(O[C@H](c2ccc(Cl)cc2-n2ccc(C)n2)C(F)(F)F)nc(N)n1
Show InChI InChI=1S/C26H29ClF3N7O3/c1-15-5-8-37(34-15)18-11-16(27)3-4-17(18)22(26(28,29)30)40-21-12-20(32-24(31)33-21)36-9-6-25(7-10-36)13-19(23(38)39)35(2)14-25/h3-5,8,11-12,19,22H,6-7,9-10,13-14H2,1-2H3,(H,38,39)(H2,31,32,33)/t19-,22+/m0/s1
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n/an/a 871n/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)
BDBM50145642
PNG
(CHEMBL3764344)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CCC2(CCNC(C2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C26H29ClF3N7O3/c1-15-4-9-37(35-15)19-12-16(27)2-3-17(19)22(26(28,29)30)40-21-13-20(33-24(31)34-21)36-10-6-25(7-11-36)5-8-32-18(14-25)23(38)39/h2-4,9,12-13,18,22,32H,5-8,10-11,14H2,1H3,(H,38,39)(H2,31,33,34)/t18?,22-/m1/s1
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n/an/a 949n/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)
BDBM50145643
PNG
(CHEMBL3764387)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CCC(CC1)C(N)CC(O)=O)C(F)(F)F
Show InChI InChI=1S/C24H27ClF3N7O3/c1-13-4-9-35(33-13)18-10-15(25)2-3-16(18)22(24(26,27)28)38-20-12-19(31-23(30)32-20)34-7-5-14(6-8-34)17(29)11-21(36)37/h2-4,9-10,12,14,17,22H,5-8,11,29H2,1H3,(H,36,37)(H2,30,31,32)/t17?,22-/m1/s1
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PubMed
n/an/a 1.02E+3n/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)
BDBM50145644
PNG
(CHEMBL3763222)
Show SMILES CC1CN(CC(C)C1NCC(O)=O)c1cc(O[C@H](c2ccc(Cl)cc2-n2ccc(C)n2)C(F)(F)F)nc(N)n1
Show InChI InChI=1S/C25H29ClF3N7O3/c1-13-11-35(12-14(2)22(13)31-10-21(37)38)19-9-20(33-24(30)32-19)39-23(25(27,28)29)17-5-4-16(26)8-18(17)36-7-6-15(3)34-36/h4-9,13-14,22-23,31H,10-12H2,1-3H3,(H,37,38)(H2,30,32,33)/t13?,14?,22?,23-/m1/s1
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n/an/a 1.05E+3n/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)
BDBM50145645
PNG
(CHEMBL3763343)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)-c1ccc(NS(C)(=O)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C23H20ClF3N6O3S/c1-13-9-10-33(31-13)19-11-15(24)5-8-17(19)21(23(25,26)27)36-20-12-18(29-22(28)30-20)14-3-6-16(7-4-14)32-37(2,34)35/h3-12,21,32H,1-2H3,(H2,28,29,30)/t21-/m1/s1
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n/an/a 1.36E+3n/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)
BDBM50145646
PNG
(CHEMBL3763702)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CCC(C)(CC1)NCC(O)=O)C(F)(F)F
Show InChI InChI=1S/C24H27ClF3N7O3/c1-14-5-8-35(33-14)17-11-15(25)3-4-16(17)21(24(26,27)28)38-19-12-18(31-22(29)32-19)34-9-6-23(2,7-10-34)30-13-20(36)37/h3-5,8,11-12,21,30H,6-7,9-10,13H2,1-2H3,(H,36,37)(H2,29,31,32)/t21-/m1/s1
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n/an/a 1.41E+3n/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)
BDBM50145658
PNG
(CHEMBL3764570)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CCC(CC1)NCC(O)=O)C(F)(F)F
Show InChI InChI=1S/C23H25ClF3N7O3/c1-13-4-9-34(32-13)17-10-14(24)2-3-16(17)21(23(25,26)27)37-19-11-18(30-22(28)31-19)33-7-5-15(6-8-33)29-12-20(35)36/h2-4,9-11,15,21,29H,5-8,12H2,1H3,(H,35,36)(H2,28,30,31)/t21-/m1/s1
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n/an/a 1.51E+3n/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)
BDBM50145659
PNG
(CHEMBL3765042)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CCC2(CN[C@H](C2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C25H27ClF3N7O3/c1-14-4-7-36(34-14)18-10-15(26)2-3-16(18)21(25(27,28)29)39-20-11-19(32-23(30)33-20)35-8-5-24(6-9-35)12-17(22(37)38)31-13-24/h2-4,7,10-11,17,21,31H,5-6,8-9,12-13H2,1H3,(H,37,38)(H2,30,32,33)/t17-,21-/m1/s1
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n/an/a 1.79E+3n/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)
BDBM50145660
PNG
(CHEMBL3763485)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)[C@@H]1CCN(C[C@H](N)C(O)=O)C1)C(F)(F)F
Show InChI InChI=1S/C23H25ClF3N7O3/c1-12-4-7-34(32-12)18-8-14(24)2-3-15(18)20(23(25,26)27)37-19-9-17(30-22(29)31-19)13-5-6-33(10-13)11-16(28)21(35)36/h2-4,7-9,13,16,20H,5-6,10-11,28H2,1H3,(H,35,36)(H2,29,30,31)/t13-,16+,20-/m1/s1
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n/an/a 2.15E+3n/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)
BDBM50145652
PNG
(CHEMBL3763909)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1nc(N)nc(n1)N1CCC2(CNC(C2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C24H26ClF3N8O3/c1-13-4-7-36(34-13)17-10-14(25)2-3-15(17)18(24(26,27)28)39-22-32-20(29)31-21(33-22)35-8-5-23(6-9-35)11-16(19(37)38)30-12-23/h2-4,7,10,16,18,30H,5-6,8-9,11-12H2,1H3,(H,37,38)(H2,29,31,32,33)/t16?,18-/m1/s1
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n/an/a 2.27E+3n/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)
BDBM50145662
PNG
(CHEMBL3765662)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CCC(CCC(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C24H26ClF3N6O3/c1-14-6-11-34(32-14)18-12-16(25)3-4-17(18)22(24(26,27)28)37-20-13-19(30-23(29)31-20)33-9-7-15(8-10-33)2-5-21(35)36/h3-4,6,11-13,15,22H,2,5,7-10H2,1H3,(H,35,36)(H2,29,30,31)/t22-/m1/s1
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n/an/a 2.71E+3n/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)
BDBM50145653
PNG
(CHEMBL3764091)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(N)nc(n1)N1CCC2(CNC(C2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C25H27ClF3N7O3/c1-14-4-7-36(34-14)18-10-15(26)2-3-16(18)21(25(27,28)29)39-20-11-19(30)32-23(33-20)35-8-5-24(6-9-35)12-17(22(37)38)31-13-24/h2-4,7,10-11,17,21,31H,5-6,8-9,12-13H2,1H3,(H,37,38)(H2,30,32,33)/t17?,21-/m1/s1
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n/an/a 2.96E+3n/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)
BDBM50145654
PNG
(CHEMBL3763347)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cnc(cn1)N1CCC2(CNC(C2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C25H26ClF3N6O3/c1-15-4-7-35(33-15)19-10-16(26)2-3-17(19)22(25(27,28)29)38-21-13-30-20(12-31-21)34-8-5-24(6-9-34)11-18(23(36)37)32-14-24/h2-4,7,10,12-13,18,22,32H,5-6,8-9,11,14H2,1H3,(H,36,37)/t18?,22-/m1/s1
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n/an/a 3.42E+3n/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)
BDBM50145663
PNG
(CHEMBL3764874)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1C2CC1CN(C[C@H](N)C(O)=O)C2)C(F)(F)F
Show InChI InChI=1S/C24H26ClF3N8O3/c1-12-4-5-35(33-12)18-6-13(25)2-3-16(18)21(24(26,27)28)39-20-8-19(31-23(30)32-20)36-14-7-15(36)10-34(9-14)11-17(29)22(37)38/h2-6,8,14-15,17,21H,7,9-11,29H2,1H3,(H,37,38)(H2,30,31,32)/t14?,15?,17-,21+/m0/s1
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n/an/a 4.04E+3n/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)
BDBM50145664
PNG
(CHEMBL3765403)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CCC(CNCC(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C24H27ClF3N7O3/c1-14-4-9-35(33-14)18-10-16(25)2-3-17(18)22(24(26,27)28)38-20-11-19(31-23(29)32-20)34-7-5-15(6-8-34)12-30-13-21(36)37/h2-4,9-11,15,22,30H,5-8,12-13H2,1H3,(H,36,37)(H2,29,31,32)/t22-/m1/s1
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n/an/a 5.13E+3n/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)
BDBM50145665
PNG
(CHEMBL3764099)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CCC2(CCC(N2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C25H27ClF3N7O3/c1-14-5-9-36(34-14)18-12-15(26)2-3-16(18)21(25(27,28)29)39-20-13-19(31-23(30)32-20)35-10-7-24(8-11-35)6-4-17(33-24)22(37)38/h2-3,5,9,12-13,17,21,33H,4,6-8,10-11H2,1H3,(H,37,38)(H2,30,31,32)/t17?,21-/m1/s1
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n/an/a 5.26E+3n/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)
BDBM50145655
PNG
(CHEMBL3763681)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cnnc(c1)N1CCC2(CNC(C2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C25H26ClF3N6O3/c1-15-4-7-35(33-15)20-10-16(26)2-3-18(20)22(25(27,28)29)38-17-11-21(32-31-13-17)34-8-5-24(6-9-34)12-19(23(36)37)30-14-24/h2-4,7,10-11,13,19,22,30H,5-6,8-9,12,14H2,1H3,(H,36,37)/t19?,22-/m1/s1
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n/an/a 5.93E+3n/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)
BDBM50145666
PNG
(CHEMBL3764358)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CC2CC(C1)N2C[C@H](N)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C24H26ClF3N8O3/c1-12-4-5-36(33-12)18-6-13(25)2-3-16(18)21(24(26,27)28)39-20-8-19(31-23(30)32-20)34-9-14-7-15(10-34)35(14)11-17(29)22(37)38/h2-6,8,14-15,17,21H,7,9-11,29H2,1H3,(H,37,38)(H2,30,31,32)/t14?,15?,17-,21+/m0/s1
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n/an/a 6.22E+3n/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)
BDBM50145667
PNG
(CHEMBL3763726)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CCC(CC1)Nc1nn[nH]n1)C(F)(F)F
Show InChI InChI=1S/C22H23ClF3N11O/c1-12-4-9-37(33-12)16-10-13(23)2-3-15(16)19(22(24,25)26)38-18-11-17(29-20(27)30-18)36-7-5-14(6-8-36)28-21-31-34-35-32-21/h2-4,9-11,14,19H,5-8H2,1H3,(H2,27,29,30)(H2,28,31,32,34,35)/t19-/m1/s1
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n/an/a 7.55E+3n/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)
BDBM50145668
PNG
(CHEMBL3763372)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CCC2(CNC(C2)C(O)=O)C1)C(F)(F)F
Show InChI InChI=1S/C24H25ClF3N7O3/c1-13-4-6-35(33-13)17-8-14(25)2-3-15(17)20(24(26,27)28)38-19-9-18(31-22(29)32-19)34-7-5-23(12-34)10-16(21(36)37)30-11-23/h2-4,6,8-9,16,20,30H,5,7,10-12H2,1H3,(H,36,37)(H2,29,31,32)/t16?,20-,23?/m1/s1
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n/an/a 8.54E+3n/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)
BDBM50145656
PNG
(CHEMBL3764128)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cncc(n1)N1CCC2(CNC(C2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C25H26ClF3N6O3/c1-15-4-7-35(33-15)19-10-16(26)2-3-17(19)22(25(27,28)29)38-21-13-30-12-20(32-21)34-8-5-24(6-9-34)11-18(23(36)37)31-14-24/h2-4,7,10,12-13,18,22,31H,5-6,8-9,11,14H2,1H3,(H,36,37)/t18?,22-/m1/s1
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n/an/a 2.00E+4n/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)
BDBM50145671
PNG
(CHEMBL3764568)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CC2(C1)CNC(C2)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C23H23ClF3N7O3/c1-12-4-5-34(32-12)16-6-13(24)2-3-14(16)19(23(25,26)27)37-18-7-17(30-21(28)31-18)33-10-22(11-33)8-15(20(35)36)29-9-22/h2-7,15,19,29H,8-11H2,1H3,(H,35,36)(H2,28,30,31)/t15?,19-/m1/s1
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n/an/a 2.00E+4n/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)
BDBM50145669
PNG
(CHEMBL3763846)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)C#CC[C@H](N)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C21H18ClF3N6O3/c1-11-7-8-31(30-11)16-9-12(22)5-6-14(16)18(21(23,24)25)34-17-10-13(28-20(27)29-17)3-2-4-15(26)19(32)33/h5-10,15,18H,4,26H2,1H3,(H,32,33)(H2,27,28,29)/t15-,18+/m0/s1
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n/an/a 2.00E+4n/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)
BDBM50145657
PNG
(CHEBI:47069 | CHEMBL412813)
Show SMILES N[C@@H](Cc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin) using L-tyrosine as substrate after 20 mins


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
* indicates data uncertainty>20%