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PubMed code 28041831

Compile data set for download or QSAR
Found 39 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 2


(Homo sapiens (Human))
BDBM50233990
PNG
(CHEMBL4104957)
Show SMILES Nc1nc(O[C@H](c2ccc(Cl)cc2-c2ccccc2)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C27H27ClF3N5O3/c28-17-6-7-18(19(12-17)16-4-2-1-3-5-16)23(27(29,30)31)39-22-13-21(34-25(32)35-22)36-10-8-26(9-11-36)14-20(24(37)38)33-15-26/h1-7,12-13,20,23,33H,8-11,14-15H2,(H,37,38)(H2,32,34,35)/t20-,23+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH2 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234204
PNG
(CHEMBL4077986)
Show SMILES Nc1nc(O[C@H](c2ccc(Cl)cc2-c2cccc(c2)S(N)(=O)=O)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C27H28ClF3N6O5S/c28-16-4-5-18(19(11-16)15-2-1-3-17(10-15)43(33,40)41)23(27(29,30)31)42-22-12-21(35-25(32)36-22)37-8-6-26(7-9-37)13-20(24(38)39)34-14-26/h1-5,10-12,20,23,34H,6-9,13-14H2,(H,38,39)(H2,32,35,36)(H2,33,40,41)/t20-,23+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234218
PNG
(CHEMBL4086156)
Show SMILES CS(=O)(=O)c1cccc(c1)-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/C28H29ClF3N5O5S/c1-43(40,41)18-4-2-3-16(11-18)20-12-17(29)5-6-19(20)24(28(30,31)32)42-23-13-22(35-26(33)36-23)37-9-7-27(8-10-37)14-21(25(38)39)34-15-27/h2-6,11-13,21,24,34H,7-10,14-15H2,1H3,(H,38,39)(H2,33,35,36)/t21-,24+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234203
PNG
(CHEMBL4064649)
Show SMILES COc1cccc(c1)-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/C28H29ClF3N5O4/c1-40-18-4-2-3-16(11-18)20-12-17(29)5-6-19(20)24(28(30,31)32)41-23-13-22(35-26(33)36-23)37-9-7-27(8-10-37)14-21(25(38)39)34-15-27/h2-6,11-13,21,24,34H,7-10,14-15H2,1H3,(H,38,39)(H2,33,35,36)/t21-,24+/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50233988
PNG
(CHEMBL4097252)
Show SMILES Cc1ccn(n1)-c1cc(ccc1[C@@H](Oc1cc(nc(N)n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1)C(F)(F)F)-c1ccc(C)c(C)c1
Show InChI InChI=1S/C33H36F3N7O3/c1-19-4-5-22(14-20(19)2)23-6-7-24(26(15-23)43-11-8-21(3)41-43)29(33(34,35)36)46-28-16-27(39-31(37)40-28)42-12-9-32(10-13-42)17-25(30(44)45)38-18-32/h4-8,11,14-16,25,29,38H,9-10,12-13,17-18H2,1-3H3,(H,44,45)(H2,37,39,40)/t25-,29+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234202
PNG
(CHEMBL4072840)
Show SMILES Nc1nc(O[C@H](c2ccc(Cl)cc2-c2cccc(c2)C(F)(F)F)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C28H26ClF6N5O3/c29-17-4-5-18(19(11-17)15-2-1-3-16(10-15)27(30,31)32)23(28(33,34)35)43-22-12-21(38-25(36)39-22)40-8-6-26(7-9-40)13-20(24(41)42)37-14-26/h1-5,10-12,20,23,37H,6-9,13-14H2,(H,41,42)(H2,36,38,39)/t20-,23+/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234217
PNG
(CHEMBL4104549)
Show SMILES Nc1nc(O[C@H](c2ccc(Cl)cc2-c2cc(F)cc(F)c2)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C27H25ClF5N5O3/c28-15-1-2-18(19(9-15)14-7-16(29)10-17(30)8-14)23(27(31,32)33)41-22-11-21(36-25(34)37-22)38-5-3-26(4-6-38)12-20(24(39)40)35-13-26/h1-2,7-11,20,23,35H,3-6,12-13H2,(H,39,40)(H2,34,36,37)/t20-,23+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50233987
PNG
(CHEMBL4084634)
Show SMILES Cc1ccn(n1)-c1cc(ccc1[C@@H](Oc1cc(nc(N)n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1)C(F)(F)F)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H30Cl2F3N7O3/c1-17-6-9-43(41-17)24-13-19(18-3-5-21(32)22(33)12-18)2-4-20(24)27(31(34,35)36)46-26-14-25(39-29(37)40-26)42-10-7-30(8-11-42)15-23(28(44)45)38-16-30/h2-6,9,12-14,23,27,38H,7-8,10-11,15-16H2,1H3,(H,44,45)(H2,37,39,40)/t23-,27+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234211
PNG
(CHEMBL4079227)
Show SMILES COc1ccc(cc1)-c1ccc([C@@H](Oc2cc(nc(N)n2)N2CCC3(CN[C@@H](C3)C(O)=O)CC2)C(F)(F)F)c(c1)-n1ccc(C)n1
Show InChI InChI=1S/C32H34F3N7O4/c1-19-9-12-42(40-19)25-15-21(20-3-6-22(45-2)7-4-20)5-8-23(25)28(32(33,34)35)46-27-16-26(38-30(36)39-27)41-13-10-31(11-14-41)17-24(29(43)44)37-18-31/h3-9,12,15-16,24,28,37H,10-11,13-14,17-18H2,1-2H3,(H,43,44)(H2,36,38,39)/t24-,28+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234201
PNG
(CHEMBL4078797)
Show SMILES CC(C)(C)c1cccc(c1)-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/C31H35ClF3N5O3/c1-29(2,3)19-6-4-5-18(13-19)22-14-20(32)7-8-21(22)26(31(33,34)35)43-25-15-24(38-28(36)39-25)40-11-9-30(10-12-40)16-23(27(41)42)37-17-30/h4-8,13-15,23,26,37H,9-12,16-17H2,1-3H3,(H,41,42)(H2,36,38,39)/t23-,26+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234205
PNG
(CHEMBL4088856)
Show SMILES Nc1nc(O[C@H](c2ccc(cc2)-c2ccc3cnccc3c2)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C30H29F3N6O3/c31-30(32,33)26(19-3-1-18(2-4-19)20-5-6-22-16-35-10-7-21(22)13-20)42-25-14-24(37-28(34)38-25)39-11-8-29(9-12-39)15-23(27(40)41)36-17-29/h1-7,10,13-14,16,23,26,36H,8-9,11-12,15,17H2,(H,40,41)(H2,34,37,38)/t23-,26+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234206
PNG
(CHEMBL4060885)
Show SMILES CSc1ccc2cc(ccc2n1)-c1ccc(cc1)[C@@H](Oc1cc(nc(N)n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C31H31F3N6O3S/c1-44-26-9-7-21-14-20(6-8-22(21)37-26)18-2-4-19(5-3-18)27(31(32,33)34)43-25-15-24(38-29(35)39-25)40-12-10-30(11-13-40)16-23(28(41)42)36-17-30/h2-9,14-15,23,27,36H,10-13,16-17H2,1H3,(H,41,42)(H2,35,38,39)/t23-,27+/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 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
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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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234200
PNG
(CHEMBL4094630)
Show SMILES Cc1cccc(c1)-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/C28H29ClF3N5O3/c1-16-3-2-4-17(11-16)20-12-18(29)5-6-19(20)24(28(30,31)32)40-23-13-22(35-26(33)36-23)37-9-7-27(8-10-37)14-21(25(38)39)34-15-27/h2-6,11-13,21,24,34H,7-10,14-15H2,1H3,(H,38,39)(H2,33,35,36)/t21-,24+/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234219
PNG
(CHEMBL4095779)
Show SMILES Nc1nc(O[C@H](c2ccc(cc2)-c2ccc3NC(=O)CCc3c2)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C30H31F3N6O4/c31-30(32,33)26(18-3-1-17(2-4-18)19-5-7-21-20(13-19)6-8-24(40)36-21)43-25-14-23(37-28(34)38-25)39-11-9-29(10-12-39)15-22(27(41)42)35-16-29/h1-5,7,13-14,22,26,35H,6,8-12,15-16H2,(H,36,40)(H,41,42)(H2,34,37,38)/t22-,26+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234199
PNG
(CHEMBL4063143)
Show SMILES Nc1nc(O[C@H](c2ccc(Cl)cc2-c2cccc(Cl)c2)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C27H26Cl2F3N5O3/c28-16-3-1-2-15(10-16)19-11-17(29)4-5-18(19)23(27(30,31)32)40-22-12-21(35-25(33)36-22)37-8-6-26(7-9-37)13-20(24(38)39)34-14-26/h1-5,10-12,20,23,34H,6-9,13-14H2,(H,38,39)(H2,33,35,36)/t20-,23+/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234207
PNG
(CHEMBL4065816)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)[C@@H](Oc1cc(nc(N)n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C29H30F3N7O3/c1-38-22-7-6-19(12-20(22)15-35-38)17-2-4-18(5-3-17)25(29(30,31)32)42-24-13-23(36-27(33)37-24)39-10-8-28(9-11-39)14-21(26(40)41)34-16-28/h2-7,12-13,15,21,25,34H,8-11,14,16H2,1H3,(H,40,41)(H2,33,36,37)/t21-,25+/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234216
PNG
(CHEMBL4090304)
Show SMILES Nc1nc(O[C@H](c2ccc(Cl)cc2-c2cccc(c2)C#N)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C28H26ClF3N6O3/c29-18-4-5-19(20(11-18)17-3-1-2-16(10-17)14-33)24(28(30,31)32)41-23-12-22(36-26(34)37-23)38-8-6-27(7-9-38)13-21(25(39)40)35-15-27/h1-5,10-12,21,24,35H,6-9,13,15H2,(H,39,40)(H2,34,36,37)/t21-,24+/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50233986
PNG
(CHEMBL4092679)
Show SMILES Nc1nc(O[C@H](c2ccc(cc2)-c2ccc3[nH]ncc3c2)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C28H28F3N7O3/c29-28(30,31)24(17-3-1-16(2-4-17)18-5-6-20-19(11-18)14-34-37-20)41-23-12-22(35-26(32)36-23)38-9-7-27(8-10-38)13-21(25(39)40)33-15-27/h1-6,11-12,14,21,24,33H,7-10,13,15H2,(H,34,37)(H,39,40)(H2,32,35,36)/t21-,24+/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234208
PNG
(CHEMBL4093347)
Show SMILES Cc1nn(C)c2cc(ccc12)-c1ccc(cc1)[C@@H](Oc1cc(nc(N)n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C30H32F3N7O3/c1-17-21-8-7-20(13-23(21)39(2)38-17)18-3-5-19(6-4-18)26(30(31,32)33)43-25-14-24(36-28(34)37-25)40-11-9-29(10-12-40)15-22(27(41)42)35-16-29/h3-8,13-14,22,26,35H,9-12,15-16H2,1-2H3,(H,41,42)(H2,34,36,37)/t22-,26+/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234198
PNG
(CHEMBL4105500)
Show SMILES Nc1nc(O[C@H](c2ccc(Cl)cc2-c2cccc(F)c2)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C27H26ClF4N5O3/c28-16-4-5-18(19(11-16)15-2-1-3-17(29)10-15)23(27(30,31)32)40-22-12-21(35-25(33)36-22)37-8-6-26(7-9-37)13-20(24(38)39)34-14-26/h1-5,10-12,20,23,34H,6-9,13-14H2,(H,38,39)(H2,33,35,36)/t20-,23+/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50233990
PNG
(CHEMBL4104957)
Show SMILES Nc1nc(O[C@H](c2ccc(Cl)cc2-c2ccccc2)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C27H27ClF3N5O3/c28-17-6-7-18(19(12-17)16-4-2-1-3-5-16)23(27(29,30)31)39-22-13-21(34-25(32)35-22)36-10-8-26(9-11-36)14-20(24(37)38)33-15-26/h1-7,12-13,20,23,33H,8-11,14-15H2,(H,37,38)(H2,32,34,35)/t20-,23+/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234002
PNG
(CHEMBL4072764)
Show SMILES Nc1nc(O[C@H](c2ccc(Cl)cc2-c2ccc(F)c(F)c2)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C27H25ClF5N5O3/c28-15-2-3-16(17(10-15)14-1-4-18(29)19(30)9-14)23(27(31,32)33)41-22-11-21(36-25(34)37-22)38-7-5-26(6-8-38)12-20(24(39)40)35-13-26/h1-4,9-11,20,23,35H,5-8,12-13H2,(H,39,40)(H2,34,36,37)/t20-,23+/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234103
PNG
(CHEMBL4085937)
Show SMILES Nc1nc(O[C@H](c2ccc(Cl)cc2-c2cc(F)cc(Cl)c2)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C27H25Cl2F4N5O3/c28-15-1-2-18(19(10-15)14-7-16(29)9-17(30)8-14)23(27(31,32)33)41-22-11-21(36-25(34)37-22)38-5-3-26(4-6-38)12-20(24(39)40)35-13-26/h1-2,7-11,20,23,35H,3-6,12-13H2,(H,39,40)(H2,34,36,37)/t20-,23+/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234209
PNG
(CHEMBL4065734)
Show SMILES Cc1n(C)nc2cc(ccc12)-c1ccc(cc1)[C@@H](Oc1cc(nc(N)n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C30H32F3N7O3/c1-17-21-8-7-20(13-22(21)38-39(17)2)18-3-5-19(6-4-18)26(30(31,32)33)43-25-14-24(36-28(34)37-25)40-11-9-29(10-12-40)15-23(27(41)42)35-16-29/h3-8,13-14,23,26,35H,9-12,15-16H2,1-2H3,(H,41,42)(H2,34,36,37)/t23-,26+/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234220
PNG
(CHEMBL4077881)
Show SMILES CN1CCc2cc(ccc2C1=O)-c1ccc(cc1)[C@@H](Oc1cc(nc(N)n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C31H33F3N6O4/c1-39-11-8-21-14-20(6-7-22(21)27(39)41)18-2-4-19(5-3-18)26(31(32,33)34)44-25-15-24(37-29(35)38-25)40-12-9-30(10-13-40)16-23(28(42)43)36-17-30/h2-7,14-15,23,26,36H,8-13,16-17H2,1H3,(H,42,43)(H2,35,37,38)/t23-,26+/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234215
PNG
(CHEMBL4071484)
Show SMILES NC(=O)c1cccc(c1)-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/C28H28ClF3N6O4/c29-17-4-5-18(19(11-17)15-2-1-3-16(10-15)24(33)39)23(28(30,31)32)42-22-12-21(36-26(34)37-22)38-8-6-27(7-9-38)13-20(25(40)41)35-14-27/h1-5,10-12,20,23,35H,6-9,13-14H2,(H2,33,39)(H,40,41)(H2,34,36,37)/t20-,23+/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234210
PNG
(CHEMBL4074348)
Show SMILES Nc1nc(O[C@H](c2ccc(cc2)-c2ccc3ncc(F)cc3c2)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C30H28F4N6O3/c31-21-12-20-11-19(5-6-22(20)36-15-21)17-1-3-18(4-2-17)26(30(32,33)34)43-25-13-24(38-28(35)39-25)40-9-7-29(8-10-40)14-23(27(41)42)37-16-29/h1-6,11-13,15,23,26,37H,7-10,14,16H2,(H,41,42)(H2,35,38,39)/t23-,26+/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234001
PNG
(CHEMBL4073070)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-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/C28H30ClF3N6O5S/c1-44(41,42)37-18-4-2-3-16(11-18)20-12-17(29)5-6-19(20)24(28(30,31)32)43-23-13-22(35-26(33)36-23)38-9-7-27(8-10-38)14-21(25(39)40)34-15-27/h2-6,11-13,21,24,34,37H,7-10,14-15H2,1H3,(H,39,40)(H2,33,35,36)/t21-,24+/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234214
PNG
(CHEMBL4084194)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)-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/C29H32ClF3N6O5S/c1-38(2)45(42,43)19-5-3-4-17(12-19)21-13-18(30)6-7-20(21)25(29(31,32)33)44-24-14-23(36-27(34)37-24)39-10-8-28(9-11-39)15-22(26(40)41)35-16-28/h3-7,12-14,22,25,35H,8-11,15-16H2,1-2H3,(H,40,41)(H2,34,36,37)/t22-,25+/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50233998
PNG
(CHEMBL4099936)
Show SMILES Nc1nc(O[C@H](c2ccc(Cl)cc2-c2ccc(Cl)cc2)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C27H26Cl2F3N5O3/c28-16-3-1-15(2-4-16)19-11-17(29)5-6-18(19)23(27(30,31)32)40-22-12-21(35-25(33)36-22)37-9-7-26(8-10-37)13-20(24(38)39)34-14-26/h1-6,11-12,20,23,34H,7-10,13-14H2,(H,38,39)(H2,33,35,36)/t20-,23+/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50233997
PNG
(CHEMBL4061688)
Show SMILES Cc1cc(ccc1Cl)-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/C28H28Cl2F3N5O3/c1-15-10-16(2-5-20(15)30)19-11-17(29)3-4-18(19)24(28(31,32)33)41-23-12-22(36-26(34)37-23)38-8-6-27(7-9-38)13-21(25(39)40)35-14-27/h2-5,10-12,21,24,35H,6-9,13-14H2,1H3,(H,39,40)(H2,34,36,37)/t21-,24+/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50233995
PNG
(CHEMBL4091280)
Show SMILES Nc1nc(O[C@H](c2ccc(Cl)cc2-c2cccnc2)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C26H26ClF3N6O3/c27-16-3-4-17(18(10-16)15-2-1-7-32-13-15)22(26(28,29)30)39-21-11-20(34-24(31)35-21)36-8-5-25(6-9-36)12-19(23(37)38)33-14-25/h1-4,7,10-11,13,19,22,33H,5-6,8-9,12,14H2,(H,37,38)(H2,31,34,35)/t19-,22+/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50233994
PNG
(CHEMBL4076761)
Show SMILES Cc1cccc(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/C27H28ClF3N6O3/c1-15-3-2-4-19(34-15)18-11-16(28)5-6-17(18)23(27(29,30)31)40-22-12-21(35-25(32)36-22)37-9-7-26(8-10-37)13-20(24(38)39)33-14-26/h2-6,11-12,20,23,33H,7-10,13-14H2,1H3,(H,38,39)(H2,32,35,36)/t20-,23+/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234213
PNG
(CHEMBL4061818)
Show SMILES Nc1nc(O[C@H](c2ccc(Cl)cc2-c2cccc(c2)N2CCCC2=O)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C31H32ClF3N6O4/c32-19-6-7-21(22(14-19)18-3-1-4-20(13-18)41-10-2-5-26(41)42)27(31(33,34)35)45-25-15-24(38-29(36)39-25)40-11-8-30(9-12-40)16-23(28(43)44)37-17-30/h1,3-4,6-7,13-15,23,27,37H,2,5,8-12,16-17H2,(H,43,44)(H2,36,38,39)/t23-,27+/m0/s1
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n/an/a 77n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50233993
PNG
(CHEMBL4084339)
Show SMILES CCOc1ccc(cc1Cl)-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/C29H30Cl2F3N5O4/c1-2-42-22-6-3-16(11-20(22)31)19-12-17(30)4-5-18(19)25(29(32,33)34)43-24-13-23(37-27(35)38-24)39-9-7-28(8-10-39)14-21(26(40)41)36-15-28/h3-6,11-13,21,25,36H,2,7-10,14-15H2,1H3,(H,40,41)(H2,35,37,38)/t21-,25+/m0/s1
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n/an/a 207n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50233991
PNG
(CHEMBL4060643)
Show SMILES Nc1nc(O[C@H](c2ccc(Cl)cc2)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C21H23ClF3N5O3/c22-13-3-1-12(2-4-13)17(21(23,24)25)33-16-9-15(28-19(26)29-16)30-7-5-20(6-8-30)10-14(18(31)32)27-11-20/h1-4,9,14,17,27H,5-8,10-11H2,(H,31,32)(H2,26,28,29)/t14-,17+/m0/s1
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n/an/a 460n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50233992
PNG
(CHEMBL4074718)
Show SMILES CS(=O)(=O)c1ccc(cc1)-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/C28H29ClF3N5O5S/c1-43(40,41)18-5-2-16(3-6-18)20-12-17(29)4-7-19(20)24(28(30,31)32)42-23-13-22(35-26(33)36-23)37-10-8-27(9-11-37)14-21(25(38)39)34-15-27/h2-7,12-13,21,24,34H,8-11,14-15H2,1H3,(H,38,39)(H2,33,35,36)/t21-,24+/m0/s1
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n/an/a 885n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234212
PNG
(CHEMBL4065512)
Show SMILES Nc1nc(O[C@H](c2ccc(Cl)cc2-c2ccc(cc2)S(N)(=O)=O)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C27H28ClF3N6O5S/c28-16-3-6-18(19(11-16)15-1-4-17(5-2-15)43(33,40)41)23(27(29,30)31)42-22-12-21(35-25(32)36-22)37-9-7-26(8-10-37)13-20(24(38)39)34-14-26/h1-6,11-12,20,23,34H,7-10,13-14H2,(H,38,39)(H2,32,35,36)(H2,33,40,41)/t20-,23+/m0/s1
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n/an/a 1.13E+3n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%