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Compile Data Set for Download or QSAR

Found 182 hits with Last Name = 'aiello' and Initial = 'r'   
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))
BDBM50167427
PNG
(CHEMBL3800397)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)\N=C(/N)NCc1c(Oc2cccc(Cl)c2)cccc1N1CCCCC1)C(O)=O
Show InChI InChI=1S/C29H32ClN5O4/c30-21-6-4-7-22(17-21)39-26-9-5-8-25(35-14-2-1-3-15-35)23(26)18-33-29(32)34-27(36)20-12-10-19(11-13-20)16-24(31)28(37)38/h4-13,17,24H,1-3,14-16,18,31H2,(H,37,38)(H3,32,33,34,36)/t24-/m0/s1
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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))
BDBM50167428
PNG
(CHEMBL3797264)
Show SMILES COc1cccc(Oc2cccc(N3CCCCC3)c2CN\C(N)=N\C(=O)c2ccc(C[C@H](N)C(O)=O)cc2)c1
Show InChI InChI=1S/C30H35N5O5/c1-39-22-7-5-8-23(18-22)40-27-10-6-9-26(35-15-3-2-4-16-35)24(27)19-33-30(32)34-28(36)21-13-11-20(12-14-21)17-25(31)29(37)38/h5-14,18,25H,2-4,15-17,19,31H2,1H3,(H,37,38)(H3,32,33,34,36)/t25-/m0/s1
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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))
BDBM50167429
PNG
(CHEMBL3799301)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)\N=C(/N)NCc1c(Oc2ccc(cc2)C(F)(F)F)cccc1N1CCCCC1)C(O)=O
Show InChI InChI=1S/C30H32F3N5O4/c31-30(32,33)21-11-13-22(14-12-21)42-26-6-4-5-25(38-15-2-1-3-16-38)23(26)18-36-29(35)37-27(39)20-9-7-19(8-10-20)17-24(34)28(40)41/h4-14,24H,1-3,15-18,34H2,(H,40,41)(H3,35,36,37,39)/t24-/m0/s1
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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))
BDBM50167538
PNG
(CHEMBL3799331)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)\N=C(/N)NCc1cc(ccc1N1CCCCC1)-c1nccs1)C(O)=O
Show InChI InChI=1S/C26H30N6O3S/c27-21(25(34)35)14-17-4-6-18(7-5-17)23(33)31-26(28)30-16-20-15-19(24-29-10-13-36-24)8-9-22(20)32-11-2-1-3-12-32/h4-10,13,15,21H,1-3,11-12,14,16,27H2,(H,34,35)(H3,28,30,31,33)/t21-/m0/s1
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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 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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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
BindingDB Entry DOI: 10.7270/Q21V5H7S
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50167426
PNG
(CHEMBL3798045)
Show SMILES Cc1cccc(Oc2cccc(N3CCCCC3)c2CN\C(N)=N\C(=O)c2ccc(C[C@H](N)C(O)=O)cc2)c1
Show InChI InChI=1S/C30H35N5O4/c1-20-7-5-8-23(17-20)39-27-10-6-9-26(35-15-3-2-4-16-35)24(27)19-33-30(32)34-28(36)22-13-11-21(12-14-22)18-25(31)29(37)38/h5-14,17,25H,2-4,15-16,18-19,31H2,1H3,(H,37,38)(H3,32,33,34,36)/t25-/m0/s1
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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))
BDBM50167424
PNG
(CHEMBL3799287)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)\N=C(/N)NCc1c(Oc2ccccc2C(F)(F)F)cccc1N1CCCCC1)C(O)=O
Show InChI InChI=1S/C30H32F3N5O4/c31-30(32,33)22-7-2-3-9-26(22)42-25-10-6-8-24(38-15-4-1-5-16-38)21(25)18-36-29(35)37-27(39)20-13-11-19(12-14-20)17-23(34)28(40)41/h2-3,6-14,23H,1,4-5,15-18,34H2,(H,40,41)(H3,35,36,37,39)/t23-/m0/s1
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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))
BDBM50167425
PNG
(CHEMBL3799810)
Show SMILES COc1ccccc1Oc1cccc(N2CCCCC2)c1CN\C(N)=N\C(=O)c1ccc(C[C@H](N)C(O)=O)cc1
Show InChI InChI=1S/C30H35N5O5/c1-39-26-9-3-4-10-27(26)40-25-11-7-8-24(35-16-5-2-6-17-35)22(25)19-33-30(32)34-28(36)21-14-12-20(13-15-21)18-23(31)29(37)38/h3-4,7-15,23H,2,5-6,16-19,31H2,1H3,(H,37,38)(H3,32,33,34,36)/t23-/m0/s1
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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))
BDBM50167398
PNG
(CHEMBL3798880)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)\N=C(/N)NCc1c(Oc2ccc(Cl)cc2)cccc1N1CCCCC1)C(O)=O
Show InChI InChI=1S/C29H32ClN5O4/c30-21-11-13-22(14-12-21)39-26-6-4-5-25(35-15-2-1-3-16-35)23(26)18-33-29(32)34-27(36)20-9-7-19(8-10-20)17-24(31)28(37)38/h4-14,24H,1-3,15-18,31H2,(H,37,38)(H3,32,33,34,36)/t24-/m0/s1
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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))
BDBM50167399
PNG
(CHEMBL3800151)
Show SMILES Cc1ccccc1Oc1cccc(N2CCCCC2)c1CN\C(N)=N\C(=O)c1ccc(C[C@H](N)C(O)=O)cc1
Show InChI InChI=1S/C30H35N5O4/c1-20-8-3-4-10-26(20)39-27-11-7-9-25(35-16-5-2-6-17-35)23(27)19-33-30(32)34-28(36)22-14-12-21(13-15-22)18-24(31)29(37)38/h3-4,7-15,24H,2,5-6,16-19,31H2,1H3,(H,37,38)(H3,32,33,34,36)/t24-/m0/s1
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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))
BDBM50167537
PNG
(CHEMBL3799498)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)\N=C(/N)NCc1c(cccc1C(F)(F)F)N1CCCCC1)C(O)=O
Show InChI InChI=1S/C24H28F3N5O3/c25-24(26,27)18-5-4-6-20(32-11-2-1-3-12-32)17(18)14-30-23(29)31-21(33)16-9-7-15(8-10-16)13-19(28)22(34)35/h4-10,19H,1-3,11-14,28H2,(H,34,35)(H3,29,30,31,33)/t19-/m0/s1
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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_UNCURATED


(Homo sapiens (Human))
BDBM50167820
PNG
(CHEMBL3797282)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)\N=C(/N)NCc1ccccc1N1CC2CCC1C2)C(O)=O
Show InChI InChI=1S/C24H29N5O3/c25-20(23(31)32)12-15-5-8-17(9-6-15)22(30)28-24(26)27-13-18-3-1-2-4-21(18)29-14-16-7-10-19(29)11-16/h1-6,8-9,16,19-20H,7,10-14,25H2,(H,31,32)(H3,26,27,28,30)/t16?,19?,20-/m0/s1
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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_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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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
BindingDB Entry DOI: 10.7270/Q21V5H7S
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50167536
PNG
(CHEMBL3799767)
Show SMILES Cc1cccc(N2CCCCC2)c1CN\C(N)=N\C(=O)c1ccc(C[C@H](N)C(O)=O)cc1
Show InChI InChI=1S/C24H31N5O3/c1-16-6-5-7-21(29-12-3-2-4-13-29)19(16)15-27-24(26)28-22(30)18-10-8-17(9-11-18)14-20(25)23(31)32/h5-11,20H,2-4,12-15,25H2,1H3,(H,31,32)(H3,26,27,28,30)/t20-/m0/s1
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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_UNCURATED


(Homo sapiens (Human))
BDBM50167757
PNG
(CHEMBL3797766)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)\N=C(/N)NCc1c(Oc2ccccc2)cccc1N1CCCCCC1)C(O)=O
Show InChI InChI=1S/C30H35N5O4/c31-25(29(37)38)19-21-13-15-22(16-14-21)28(36)34-30(32)33-20-24-26(35-17-6-1-2-7-18-35)11-8-12-27(24)39-23-9-4-3-5-10-23/h3-5,8-16,25H,1-2,6-7,17-20,31H2,(H,37,38)(H3,32,33,34,36)/t25-/m0/s1
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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))
BDBM50167397
PNG
(CHEMBL3799918)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)\N=C(/N)NCc1c(Oc2cccc(c2)C(F)(F)F)cccc1N1CCCCC1)C(O)=O
Show InChI InChI=1S/C30H32F3N5O4/c31-30(32,33)21-6-4-7-22(17-21)42-26-9-5-8-25(38-14-2-1-3-15-38)23(26)18-36-29(35)37-27(39)20-12-10-19(11-13-20)16-24(34)28(40)41/h4-13,17,24H,1-3,14-16,18,34H2,(H,40,41)(H3,35,36,37,39)/t24-/m0/s1
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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))
BDBM50167509
PNG
(CHEMBL3797417)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)\N=C(/N)NCc1cc(ccc1N1CCCCC1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C29H33N5O3/c30-25(28(36)37)17-20-9-11-22(12-10-20)27(35)33-29(31)32-19-24-18-23(21-7-3-1-4-8-21)13-14-26(24)34-15-5-2-6-16-34/h1,3-4,7-14,18,25H,2,5-6,15-17,19,30H2,(H,36,37)(H3,31,32,33,35)/t25-/m0/s1
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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_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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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
BindingDB Entry DOI: 10.7270/Q21V5H7S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50167395
PNG
(CHEMBL3799737)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)\N=C(/N)NCc1c(Oc2ccccc2Cl)cccc1N1CCCCC1)C(O)=O
Show InChI InChI=1S/C29H32ClN5O4/c30-22-7-2-3-9-26(22)39-25-10-6-8-24(35-15-4-1-5-16-35)21(25)18-33-29(32)34-27(36)20-13-11-19(12-14-20)17-23(31)28(37)38/h2-3,6-14,23H,1,4-5,15-18,31H2,(H,37,38)(H3,32,33,34,36)/t23-/m0/s1
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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))
BDBM50167396
PNG
(CHEMBL3799711)
Show SMILES Cc1ccc(Oc2cccc(N3CCCCC3)c2CN\C(N)=N\C(=O)c2ccc(C[C@H](N)C(O)=O)cc2)cc1
Show InChI InChI=1S/C30H35N5O4/c1-20-8-14-23(15-9-20)39-27-7-5-6-26(35-16-3-2-4-17-35)24(27)19-33-30(32)34-28(36)22-12-10-21(11-13-22)18-25(31)29(37)38/h5-15,25H,2-4,16-19,31H2,1H3,(H,37,38)(H3,32,33,34,36)/t25-/m0/s1
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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_UNCURATED


(Homo sapiens (Human))
BDBM50167821
PNG
(CHEMBL3797220)
Show SMILES CC1CCCCN1c1ccccc1CN\C(N)=N\C(=O)c1ccc(C[C@H](N)C(O)=O)cc1
Show InChI InChI=1S/C24H31N5O3/c1-16-6-4-5-13-29(16)21-8-3-2-7-19(21)15-27-24(26)28-22(30)18-11-9-17(10-12-18)14-20(25)23(31)32/h2-3,7-12,16,20H,4-6,13-15,25H2,1H3,(H,31,32)(H3,26,27,28,30)/t16?,20-/m0/s1
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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
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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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
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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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))
BDBM50167394
PNG
(CHEMBL3798405)
Show SMILES COc1ccc(Oc2cccc(N3CCCCC3)c2CN\C(N)=N\C(=O)c2ccc(C[C@H](N)C(O)=O)cc2)cc1
Show InChI InChI=1S/C30H35N5O5/c1-39-22-12-14-23(15-13-22)40-27-7-5-6-26(35-16-3-2-4-17-35)24(27)19-33-30(32)34-28(36)21-10-8-20(9-11-21)18-25(31)29(37)38/h5-15,25H,2-4,16-19,31H2,1H3,(H,37,38)(H3,32,33,34,36)/t25-/m0/s1
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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))
BDBM50167508
PNG
(CHEMBL3797520)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)\N=C(/N)NCc1cc(Cl)ccc1N1CCCCC1)C(O)=O
Show InChI InChI=1S/C23H28ClN5O3/c24-18-8-9-20(29-10-2-1-3-11-29)17(13-18)14-27-23(26)28-21(30)16-6-4-15(5-7-16)12-19(25)22(31)32/h4-9,13,19H,1-3,10-12,14,25H2,(H,31,32)(H3,26,27,28,30)/t19-/m0/s1
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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_UNCURATED


(Homo sapiens (Human))
BDBM50167826
PNG
(CHEMBL3798995)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)\N=C(/N)NCc1ccccc1N1CCCCCC1)C(O)=O
Show InChI InChI=1S/C24H31N5O3/c25-20(23(31)32)15-17-9-11-18(12-10-17)22(30)28-24(26)27-16-19-7-3-4-8-21(19)29-13-5-1-2-6-14-29/h3-4,7-12,20H,1-2,5-6,13-16,25H2,(H,31,32)(H3,26,27,28,30)/t20-/m0/s1
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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))
BDBM50167507
PNG
(CHEMBL3799404)
Show SMILES COc1cccc(N2CCCCC2)c1CN\C(N)=N\C(=O)c1ccc(C[C@H](N)C(O)=O)cc1
Show InChI InChI=1S/C24H31N5O4/c1-33-21-7-5-6-20(29-12-3-2-4-13-29)18(21)15-27-24(26)28-22(30)17-10-8-16(9-11-17)14-19(25)23(31)32/h5-11,19H,2-4,12-15,25H2,1H3,(H,31,32)(H3,26,27,28,30)/t19-/m0/s1
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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_UNCURATED


(Homo sapiens (Human))
BDBM50167801
PNG
(CHEMBL3799259)
Show SMILES Cc1cccc(N2CCCCCC2)c1CN\C(N)=N\C(=O)c1ccc(C[C@H](N)C(O)=O)cc1
Show InChI InChI=1S/C25H33N5O3/c1-17-7-6-8-22(30-13-4-2-3-5-14-30)20(17)16-28-25(27)29-23(31)19-11-9-18(10-12-19)15-21(26)24(32)33/h6-12,21H,2-5,13-16,26H2,1H3,(H,32,33)(H3,27,28,29,31)/t21-/m0/s1
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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_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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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
BindingDB Entry DOI: 10.7270/Q21V5H7S
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50167547
PNG
(CHEMBL3800237)
Show SMILES CC1CCCN(C1)c1ccccc1CN\C(N)=N\C(=O)c1ccc(C[C@H](N)C(O)=O)cc1
Show InChI InChI=1S/C24H31N5O3/c1-16-5-4-12-29(15-16)21-7-3-2-6-19(21)14-27-24(26)28-22(30)18-10-8-17(9-11-18)13-20(25)23(31)32/h2-3,6-11,16,20H,4-5,12-15,25H2,1H3,(H,31,32)(H3,26,27,28,30)/t16?,20-/m0/s1
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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_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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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
BindingDB Entry DOI: 10.7270/Q21V5H7S
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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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
BindingDB Entry DOI: 10.7270/Q21V5H7S
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50167822
PNG
(CHEMBL3800114)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)\N=C(/N)NCc1ccccc1N1CCCCC1)C(O)=O
Show InChI InChI=1S/C23H29N5O3/c24-19(22(30)31)14-16-8-10-17(11-9-16)21(29)27-23(25)26-15-18-6-2-3-7-20(18)28-12-4-1-5-13-28/h2-3,6-11,19H,1,4-5,12-15,24H2,(H,30,31)(H3,25,26,27,29)/t19-/m0/s1
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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))
BDBM50167506
PNG
(CHEMBL3799132)
Show SMILES COc1ccc(N2CCCCC2)c(CN\C(N)=N\C(=O)c2ccc(C[C@H](N)C(O)=O)cc2)c1
Show InChI InChI=1S/C24H31N5O4/c1-33-19-9-10-21(29-11-3-2-4-12-29)18(14-19)15-27-24(26)28-22(30)17-7-5-16(6-8-17)13-20(25)23(31)32/h5-10,14,20H,2-4,11-13,15,25H2,1H3,(H,31,32)(H3,26,27,28,30)/t20-/m0/s1
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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_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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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
BindingDB Entry DOI: 10.7270/Q21V5H7S
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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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
BindingDB Entry DOI: 10.7270/Q21V5H7S
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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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
BindingDB Entry DOI: 10.7270/Q21V5H7S
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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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
BindingDB Entry DOI: 10.7270/Q21V5H7S
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50167505
PNG
(CHEMBL3799920)
Show SMILES Cc1ccc(N2CCCCC2)c(CN\C(N)=N\C(=O)c2ccc(C[C@H](N)C(O)=O)cc2)c1
Show InChI InChI=1S/C24H31N5O3/c1-16-5-10-21(29-11-3-2-4-12-29)19(13-16)15-27-24(26)28-22(30)18-8-6-17(7-9-18)14-20(25)23(31)32/h5-10,13,20H,2-4,11-12,14-15,25H2,1H3,(H,31,32)(H3,26,27,28,30)/t20-/m0/s1
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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))
BDBM50167546
PNG
(CHEMBL3798902)
Show SMILES CC1CC(C)CN(C1)c1ccccc1CN\C(N)=N\C(=O)c1ccc(C[C@H](N)C(O)=O)cc1
Show InChI InChI=1S/C25H33N5O3/c1-16-11-17(2)15-30(14-16)22-6-4-3-5-20(22)13-28-25(27)29-23(31)19-9-7-18(8-10-19)12-21(26)24(32)33/h3-10,16-17,21H,11-15,26H2,1-2H3,(H,32,33)(H3,27,28,29,31)/t16?,17?,21-/m0/s1
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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_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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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
BindingDB Entry DOI: 10.7270/Q21V5H7S
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(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 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))
BDBM50167393
PNG
(CHEMBL3799306)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)\N=C(/N)NCc1c(Oc2ccccc2)cccc1N1CCCCC1)C(O)=O
Show InChI InChI=1S/C29H33N5O4/c30-24(28(36)37)18-20-12-14-21(15-13-20)27(35)33-29(31)32-19-23-25(34-16-5-2-6-17-34)10-7-11-26(23)38-22-8-3-1-4-9-22/h1,3-4,7-15,24H,2,5-6,16-19,30H2,(H,36,37)(H3,31,32,33,35)/t24-/m0/s1
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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_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
BindingDB Entry DOI: 10.7270/Q21V5H7S
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
BindingDB Entry DOI: 10.7270/Q21V5H7S
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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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
BindingDB Entry DOI: 10.7270/Q21V5H7S
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50167392
PNG
(CHEMBL3798665)
Show SMILES CC(C)Oc1cccc(N2CCCCC2)c1CN\C(N)=N\C(=O)c1ccc(C[C@H](N)C(O)=O)cc1
Show InChI InChI=1S/C26H35N5O4/c1-17(2)35-23-8-6-7-22(31-13-4-3-5-14-31)20(23)16-29-26(28)30-24(32)19-11-9-18(10-12-19)15-21(27)25(33)34/h6-12,17,21H,3-5,13-16,27H2,1-2H3,(H,33,34)(H3,28,29,30,32)/t21-/m0/s1
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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_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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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
BindingDB Entry DOI: 10.7270/Q21V5H7S
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50167391
PNG
(CHEMBL3799607)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)\N=C(/N)NCc1c(OC2CCCCC2)cccc1N1CCCCC1)C(O)=O
Show InChI InChI=1S/C29H39N5O4/c30-24(28(36)37)18-20-12-14-21(15-13-20)27(35)33-29(31)32-19-23-25(34-16-5-2-6-17-34)10-7-11-26(23)38-22-8-3-1-4-9-22/h7,10-15,22,24H,1-6,8-9,16-19,30H2,(H,36,37)(H3,31,32,33,35)/t24-/m0/s1
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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_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
BindingDB Entry DOI: 10.7270/Q21V5H7S
More data for this
Ligand-Target Pair
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