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29 similar compounds to monomer 50145613

Compile data set for download or QSAR
Wt: 552.9
BDBM50145645
Wt: 553.9
BDBM50145646
Wt: 566.9
BDBM50145666
Wt: 239.3
BDBM50145679
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
Wt: 199.6
BDBM50145657
Wt: 539.9
BDBM50145658
Wt: 539.9
BDBM50145660
Wt: 538.9
BDBM50145662
Displayed 1 to 15 (of 28 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50145645,50145646,50145666,50145679,50145635,50145638,50145641,50145636,50145637,50145650,50145654,50145657,50145658,50145660,50145662   
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
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
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))
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))
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))
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))
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))
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))
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))
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
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
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 (Human))
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 (Human))
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 (Human))
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 (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