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35 similar compounds to monomer 50145666

Compile data set for download or QSAR
Wt: 552.9
BDBM50145645
Wt: 553.9
BDBM50145646
Wt: 546.9
BDBM50145648
Wt: 643.0
BDBM50145649
Wt: 553.9
BDBM50145664
Wt: 239.3
BDBM50145679
Wt: 342.4
BDBM50145610
Wt: 382.4
BDBM50145613
Wt: 554.9
BDBM50145635
Wt: 568.9
BDBM50145638
Wt: 580.9
BDBM50145641
Wt: 565.9
BDBM50145636
Wt: 580.9
BDBM50145637
Wt: 549.9
BDBM50145650
Wt: 550.9
BDBM50145654
Displayed 1 to 15 (of 34 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50145645,50145646,50145648,50145649,50145664,50145679,50145610,50145613,50145635,50145638,50145641,50145636,50145637,50145650,50145654   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145613
PNG
(CHEMBL3764390)
Show SMILES O=C(NCCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccncc1
Show InChI InChI=1S/C21H26N4O3/c26-21(18-4-7-22-8-5-18)23-6-1-9-24-10-12-25(13-11-24)15-17-2-3-19-20(14-17)28-16-27-19/h2-5,7-8,14H,1,6,9-13,15-16H2,(H,23,26)
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0.0113n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex incubated for 30 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145610
PNG
(CHEMBL3764420)
Show SMILES Fc1ccc(cc1)N1CCN(CCCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C19H23FN4O/c20-17-2-4-18(5-3-17)24-14-12-23(13-15-24)11-1-8-22-19(25)16-6-9-21-10-7-16/h2-7,9-10H,1,8,11-15H2,(H,22,25)
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0.228n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50145613
PNG
(CHEMBL3764390)
Show SMILES O=C(NCCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccncc1
Show InChI InChI=1S/C21H26N4O3/c26-21(18-4-7-22-8-5-18)23-6-1-9-24-10-12-25(13-11-24)15-17-2-3-19-20(14-17)28-16-27-19/h2-5,7-8,14H,1,6,9-13,15-16H2,(H,23,26)
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2.20n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysi...


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145610
PNG
(CHEMBL3764420)
Show SMILES Fc1ccc(cc1)N1CCN(CCCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C19H23FN4O/c20-17-2-4-18(5-3-17)24-14-12-23(13-15-24)11-1-8-22-19(25)16-6-9-21-10-7-16/h2-7,9-10H,1,8,11-15H2,(H,22,25)
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99n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex incubated for 30 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50145613
PNG
(CHEMBL3764390)
Show SMILES O=C(NCCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccncc1
Show InChI InChI=1S/C21H26N4O3/c26-21(18-4-7-22-8-5-18)23-6-1-9-24-10-12-25(13-11-24)15-17-2-3-19-20(14-17)28-16-27-19/h2-5,7-8,14H,1,6,9-13,15-16H2,(H,23,26)
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127n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat striatum incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50145610
PNG
(CHEMBL3764420)
Show SMILES Fc1ccc(cc1)N1CCN(CCCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C19H23FN4O/c20-17-2-4-18(5-3-17)24-14-12-23(13-15-24)11-1-8-22-19(25)16-6-9-21-10-7-16/h2-7,9-10H,1,8,11-15H2,(H,22,25)
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451n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat striatum incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50145610
PNG
(CHEMBL3764420)
Show SMILES Fc1ccc(cc1)N1CCN(CCCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C19H23FN4O/c20-17-2-4-18(5-3-17)24-14-12-23(13-15-24)11-1-8-22-19(25)16-6-9-21-10-7-16/h2-7,9-10H,1,8,11-15H2,(H,22,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysi...


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50145613
PNG
(CHEMBL3764390)
Show SMILES O=C(NCCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccncc1
Show InChI InChI=1S/C21H26N4O3/c26-21(18-4-7-22-8-5-18)23-6-1-9-24-10-12-25(13-11-24)15-17-2-3-19-20(14-17)28-16-27-19/h2-5,7-8,14H,1,6,9-13,15-16H2,(H,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50145610
PNG
(CHEMBL3764420)
Show SMILES Fc1ccc(cc1)N1CCN(CCCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C19H23FN4O/c20-17-2-4-18(5-3-17)24-14-12-23(13-15-24)11-1-8-22-19(25)16-6-9-21-10-7-16/h2-7,9-10H,1,8,11-15H2,(H,22,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145613
PNG
(CHEMBL3764390)
Show SMILES O=C(NCCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccncc1
Show InChI InChI=1S/C21H26N4O3/c26-21(18-4-7-22-8-5-18)23-6-1-9-24-10-12-25(13-11-24)15-17-2-3-19-20(14-17)28-16-27-19/h2-5,7-8,14H,1,6,9-13,15-16H2,(H,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
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 (Human))
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 (Human))
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
Plasmepsin 2


(Plasmodium falciparum)
BDBM50145679
PNG
(CHEMBL3763552)
Show SMILES OC1CN(C1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H17NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,18H,11-12H2
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n/an/a 2.40E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 by NMR analysis


J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
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 (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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n/an/a 16n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


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


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


(Homo sapiens (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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 (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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n/an/a 16n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


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


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


(Homo sapiens (Human))
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145610
PNG
(CHEMBL3764420)
Show SMILES Fc1ccc(cc1)N1CCN(CCCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C19H23FN4O/c20-17-2-4-18(5-3-17)24-14-12-23(13-15-24)11-1-8-22-19(25)16-6-9-21-10-7-16/h2-7,9-10H,1,8,11-15H2,(H,22,25)
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n/an/a 1.60n/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT2A receptor in Sprague-Dawley rat ileum assessed as inhibition of 5-HT-induced contraction


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
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