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14 similar compounds to monomer 50154530

Compile data set for download or QSAR
Wt: 583.8
BDBM50154558
Wt: 295.7
BDBM50154511
Purchase
Wt: 423.5
BDBM50154553
Wt: 469.6
BDBM50154555
Wt: 399.4
BDBM50154515
Wt: 399.4
BDBM50154516
Wt: 412.5
BDBM50154537
Wt: 493.7
BDBM50154557
Wt: 484.7
BDBM50154560
Wt: 434.4
BDBM50154520
Wt: 442.5
BDBM50154522
Wt: 398.5
BDBM50154544
Wt: 405.5
BDBM50154513
Wt: 430.5
BDBM50154548

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 50154558,50154511,50154553,50154555,50154515,50154516,50154537,50154557,50154560,50154520,50154522,50154544,50154513,50154548   
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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154513
PNG
(CHEMBL3774986)
Show SMILES C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1cscn1
Show InChI InChI=1S/C22H23N5OS/c1-2-4-16-14(3-1)15-9-17(22-23-10-18(27-22)19-11-29-12-24-19)26-20(21(15)25-16)13-5-7-28-8-6-13/h1-4,10-13,17,20,25-26H,5-9H2,(H,23,27)/t17-,20-/m1/s1
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n/an/a 4.39E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50154511
PNG
(CHEMBL189770 | N-(4-chlorophenylsulfonyl)benzamide...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C13H10ClNO3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16)
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MMDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells


Bioorg Med Chem 15: 4396-405 (2007)


Article DOI: 10.1016/j.bmc.2007.04.035
BindingDB Entry DOI: 10.7270/Q24M95CG
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154516
PNG
(CHEMBL3775418)
Show SMILES C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccn1
Show InChI InChI=1S/C24H25N5O/c1-2-6-18-16(5-1)17-13-20(24-26-14-21(29-24)19-7-3-4-10-25-19)28-22(23(17)27-18)15-8-11-30-12-9-15/h1-7,10,14-15,20,22,27-28H,8-9,11-13H2,(H,26,29)/t20-,22-/m1/s1
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n/an/a 4.03E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154520
PNG
(CHEMBL3775050)
Show SMILES Fc1ccc(-c2c[nH]c(n2)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N2)C2CCOCC2)c(F)c1
Show InChI InChI=1S/C25H24F2N4O/c26-15-5-6-17(19(27)11-15)22-13-28-25(31-22)21-12-18-16-3-1-2-4-20(16)29-24(18)23(30-21)14-7-9-32-10-8-14/h1-6,11,13-14,21,23,29-30H,7-10,12H2,(H,28,31)/t21-,23-/m1/s1
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n/an/a 634n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154522
PNG
(CHEMBL3774488)
Show SMILES OC(=O)c1cccc(c1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1
Show InChI InChI=1S/C26H26N4O3/c31-26(32)17-5-3-4-16(12-17)22-14-27-25(30-22)21-13-19-18-6-1-2-7-20(18)28-24(19)23(29-21)15-8-10-33-11-9-15/h1-7,12,14-15,21,23,28-29H,8-11,13H2,(H,27,30)(H,31,32)/t21-,23-/m1/s1
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n/an/a 839n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154537
PNG
(CHEMBL3775729)
Show SMILES CC1(Cc2c([nH]c3ccccc23)C(N1)C1CCOCC1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C26H28N4O/c1-26(25-27-16-22(29-25)17-7-3-2-4-8-17)15-20-19-9-5-6-10-21(19)28-24(20)23(30-26)18-11-13-31-14-12-18/h2-10,16,18,23,28,30H,11-15H2,1H3,(H,27,29)
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n/an/a 530n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154537
PNG
(CHEMBL3775729)
Show SMILES CC1(Cc2c([nH]c3ccccc23)C(N1)C1CCOCC1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C26H28N4O/c1-26(25-27-16-22(29-25)17-7-3-2-4-8-17)15-20-19-9-5-6-10-21(19)28-24(20)23(30-26)18-11-13-31-14-12-18/h2-10,16,18,23,28,30H,11-15H2,1H3,(H,27,29)
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n/an/a 1.63E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154537
PNG
(CHEMBL3775729)
Show SMILES CC1(Cc2c([nH]c3ccccc23)C(N1)C1CCOCC1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C26H28N4O/c1-26(25-27-16-22(29-25)17-7-3-2-4-8-17)15-20-19-9-5-6-10-21(19)28-24(20)23(30-26)18-11-13-31-14-12-18/h2-10,16,18,23,28,30H,11-15H2,1H3,(H,27,29)
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n/an/a 2.95E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154537
PNG
(CHEMBL3775729)
Show SMILES CC1(Cc2c([nH]c3ccccc23)C(N1)C1CCOCC1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C26H28N4O/c1-26(25-27-16-22(29-25)17-7-3-2-4-8-17)15-20-19-9-5-6-10-21(19)28-24(20)23(30-26)18-11-13-31-14-12-18/h2-10,16,18,23,28,30H,11-15H2,1H3,(H,27,29)
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n/an/a 2.18E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154513
PNG
(CHEMBL3774986)
Show SMILES C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1cscn1
Show InChI InChI=1S/C22H23N5OS/c1-2-4-16-14(3-1)15-9-17(22-23-10-18(27-22)19-11-29-12-24-19)26-20(21(15)25-16)13-5-7-28-8-6-13/h1-4,10-13,17,20,25-26H,5-9H2,(H,23,27)/t17-,20-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human somatostatin receptor type 3 assessed as inhibition of cAMP levels


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154515
PNG
(CHEMBL3774903)
Show SMILES C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccncc1
Show InChI InChI=1S/C24H25N5O/c1-2-4-19-17(3-1)18-13-20(24-26-14-21(29-24)15-5-9-25-10-6-15)28-22(23(18)27-19)16-7-11-30-12-8-16/h1-6,9-10,14,16,20,22,27-28H,7-8,11-13H2,(H,26,29)/t20-,22-/m1/s1
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n/an/an/an/a 432n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human somatostatin receptor type 3 assessed as inhibition of cAMP levels


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154516
PNG
(CHEMBL3775418)
Show SMILES C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccn1
Show InChI InChI=1S/C24H25N5O/c1-2-6-18-16(5-1)17-13-20(24-26-14-21(29-24)19-7-3-4-10-25-19)28-22(23(17)27-18)15-8-11-30-12-9-15/h1-7,10,14-15,20,22,27-28H,8-9,11-13H2,(H,26,29)/t20-,22-/m1/s1
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n/an/an/an/a 196n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human somatostatin receptor type 3 assessed as inhibition of cAMP levels


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154544
PNG
(CHEMBL3775037)
Show SMILES C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1c[nH]c(n1)-c1ccccc1
Show InChI InChI=1S/C25H26N4O/c1-2-6-17(7-3-1)25-26-15-22(29-25)21-14-19-18-8-4-5-9-20(18)27-24(19)23(28-21)16-10-12-30-13-11-16/h1-9,15-16,21,23,27-28H,10-14H2,(H,26,29)/t21-,23-/m1/s1
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n/an/an/an/a 405n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human somatostatin receptor type 3 assessed as inhibition of cAMP levels


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154548
PNG
(CHEMBL3775986)
Show SMILES Cn1cc(nc1[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H27FN4O/c1-31-15-23(16-6-8-18(27)9-7-16)30-26(31)22-14-20-19-4-2-3-5-21(19)28-25(20)24(29-22)17-10-12-32-13-11-17/h2-9,15,17,22,24,28-29H,10-14H2,1H3/t22-,24-/m1/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human somatostatin receptor type 3 assessed as inhibition of cAMP levels


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154520
PNG
(CHEMBL3775050)
Show SMILES Fc1ccc(-c2c[nH]c(n2)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N2)C2CCOCC2)c(F)c1
Show InChI InChI=1S/C25H24F2N4O/c26-15-5-6-17(19(27)11-15)22-13-28-25(31-22)21-12-18-16-3-1-2-4-20(16)29-24(18)23(30-21)14-7-9-32-10-8-14/h1-6,11,13-14,21,23,29-30H,7-10,12H2,(H,28,31)/t21-,23-/m1/s1
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n/an/an/an/a 37n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human somatostatin receptor type 3 assessed as inhibition of cAMP levels


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154537
PNG
(CHEMBL3775729)
Show SMILES CC1(Cc2c([nH]c3ccccc23)C(N1)C1CCOCC1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C26H28N4O/c1-26(25-27-16-22(29-25)17-7-3-2-4-8-17)15-20-19-9-5-6-10-21(19)28-24(20)23(30-26)18-11-13-31-14-12-18/h2-10,16,18,23,28,30H,11-15H2,1H3,(H,27,29)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human somatostatin receptor type 3 assessed as inhibition of cAMP levels


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154537
PNG
(CHEMBL3775729)
Show SMILES CC1(Cc2c([nH]c3ccccc23)C(N1)C1CCOCC1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C26H28N4O/c1-26(25-27-16-22(29-25)17-7-3-2-4-8-17)15-20-19-9-5-6-10-21(19)28-24(20)23(30-26)18-11-13-31-14-12-18/h2-10,16,18,23,28,30H,11-15H2,1H3,(H,27,29)
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n/an/an/an/a 17n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human somatostatin receptor type 3 assessed as inhibition of cAMP levels


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154513
PNG
(CHEMBL3774986)
Show SMILES C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1cscn1
Show InChI InChI=1S/C22H23N5OS/c1-2-4-16-14(3-1)15-9-17(22-23-10-18(27-22)19-11-29-12-24-19)26-20(21(15)25-16)13-5-7-28-8-6-13/h1-4,10-13,17,20,25-26H,5-9H2,(H,23,27)/t17-,20-/m1/s1
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n/an/a 786n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin receptor type 3


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154515
PNG
(CHEMBL3774903)
Show SMILES C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccncc1
Show InChI InChI=1S/C24H25N5O/c1-2-4-19-17(3-1)18-13-20(24-26-14-21(29-24)15-5-9-25-10-6-15)28-22(23(18)27-19)16-7-11-30-12-8-16/h1-6,9-10,14,16,20,22,27-28H,7-8,11-13H2,(H,26,29)/t20-,22-/m1/s1
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n/an/a 163n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin receptor type 3


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154516
PNG
(CHEMBL3775418)
Show SMILES C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccn1
Show InChI InChI=1S/C24H25N5O/c1-2-6-18-16(5-1)17-13-20(24-26-14-21(29-24)19-7-3-4-10-25-19)28-22(23(17)27-18)15-8-11-30-12-9-15/h1-7,10,14-15,20,22,27-28H,8-9,11-13H2,(H,26,29)/t20-,22-/m1/s1
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n/an/a 109n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin receptor type 3


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154544
PNG
(CHEMBL3775037)
Show SMILES C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1c[nH]c(n1)-c1ccccc1
Show InChI InChI=1S/C25H26N4O/c1-2-6-17(7-3-1)25-26-15-22(29-25)21-14-19-18-8-4-5-9-20(18)27-24(19)23(28-21)16-10-12-30-13-11-16/h1-9,15-16,21,23,27-28H,10-14H2,(H,26,29)/t21-,23-/m1/s1
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n/an/a 487n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin receptor type 3


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154548
PNG
(CHEMBL3775986)
Show SMILES Cn1cc(nc1[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H27FN4O/c1-31-15-23(16-6-8-18(27)9-7-16)30-26(31)22-14-20-19-4-2-3-5-21(19)28-25(20)24(29-22)17-10-12-32-13-11-17/h2-9,15,17,22,24,28-29H,10-14H2,1H3/t22-,24-/m1/s1
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n/an/a 225n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin receptor type 3


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154520
PNG
(CHEMBL3775050)
Show SMILES Fc1ccc(-c2c[nH]c(n2)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N2)C2CCOCC2)c(F)c1
Show InChI InChI=1S/C25H24F2N4O/c26-15-5-6-17(19(27)11-15)22-13-28-25(31-22)21-12-18-16-3-1-2-4-20(16)29-24(18)23(30-21)14-7-9-32-10-8-14/h1-6,11,13-14,21,23,29-30H,7-10,12H2,(H,28,31)/t21-,23-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin receptor type 3


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154522
PNG
(CHEMBL3774488)
Show SMILES OC(=O)c1cccc(c1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1
Show InChI InChI=1S/C26H26N4O3/c31-26(32)17-5-3-4-16(12-17)22-14-27-25(30-22)21-13-19-18-6-1-2-7-20(18)28-24(19)23(29-21)15-8-10-33-11-9-15/h1-7,12,14-15,21,23,28-29H,8-11,13H2,(H,27,30)(H,31,32)/t21-,23-/m1/s1
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n/an/a>1.33E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin receptor type 3


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154553
PNG
(CHEMBL3774861)
Show SMILES N#Cc1ccc(cc1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1
Show InChI InChI=1S/C26H25N5O/c27-14-16-5-7-17(8-6-16)23-15-28-26(31-23)22-13-20-19-3-1-2-4-21(19)29-25(20)24(30-22)18-9-11-32-12-10-18/h1-8,15,18,22,24,29-30H,9-13H2,(H,28,31)/t22-,24-/m1/s1
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n/an/a 141n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin receptor type 3


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154537
PNG
(CHEMBL3775729)
Show SMILES CC1(Cc2c([nH]c3ccccc23)C(N1)C1CCOCC1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C26H28N4O/c1-26(25-27-16-22(29-25)17-7-3-2-4-8-17)15-20-19-9-5-6-10-21(19)28-24(20)23(30-26)18-11-13-31-14-12-18/h2-10,16,18,23,28,30H,11-15H2,1H3,(H,27,29)
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n/an/a 102n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin receptor type 3


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154537
PNG
(CHEMBL3775729)
Show SMILES CC1(Cc2c([nH]c3ccccc23)C(N1)C1CCOCC1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C26H28N4O/c1-26(25-27-16-22(29-25)17-7-3-2-4-8-17)15-20-19-9-5-6-10-21(19)28-24(20)23(30-26)18-11-13-31-14-12-18/h2-10,16,18,23,28,30H,11-15H2,1H3,(H,27,29)
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n/an/a>1.33E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin receptor type 3


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154537
PNG
(CHEMBL3775729)
Show SMILES CC1(Cc2c([nH]c3ccccc23)C(N1)C1CCOCC1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C26H28N4O/c1-26(25-27-16-22(29-25)17-7-3-2-4-8-17)15-20-19-9-5-6-10-21(19)28-24(20)23(30-26)18-11-13-31-14-12-18/h2-10,16,18,23,28,30H,11-15H2,1H3,(H,27,29)
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n/an/a 603n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin receptor type 3


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154537
PNG
(CHEMBL3775729)
Show SMILES CC1(Cc2c([nH]c3ccccc23)C(N1)C1CCOCC1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C26H28N4O/c1-26(25-27-16-22(29-25)17-7-3-2-4-8-17)15-20-19-9-5-6-10-21(19)28-24(20)23(30-26)18-11-13-31-14-12-18/h2-10,16,18,23,28,30H,11-15H2,1H3,(H,27,29)
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin receptor type 3


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50154555
PNG
(CHEMBL3775916)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(N)=O
Show InChI InChI=1S/C30H47NO3/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)33)20(32)16-18-19-17-27(4,24(31)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,33H,8-15,17H2,1-7H3,(H2,31,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
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n/an/a 6.99E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE1 in human liver microsomes using 2-(2-Benzoyl-3-methoxyphenyl) benzothiazole as substrate preincubated for 10 mins followed by subst...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50154557
PNG
(CHEMBL3775481)
Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C#N)C1(C)C
Show InChI InChI=1S/C32H47NO3/c1-20(34)36-25-10-11-30(6)24(27(25,2)3)9-12-32(8)26(30)23(35)17-21-22-18-28(4,19-33)13-14-29(22,5)15-16-31(21,32)7/h17,22,24-26H,9-16,18H2,1-8H3/t22-,24-,25-,26+,28-,29+,30-,31+,32+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE1 in human liver microsomes using 2-(2-Benzoyl-3-methoxyphenyl) benzothiazole as substrate preincubated for 10 mins followed by subst...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50154558
PNG
(CHEMBL3775320)
Show SMILES CN(C)CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1S/C36H57NO5/c1-23(38)42-28-12-13-34(6)27(31(28,2)3)11-14-36(8)29(34)26(39)21-24-25-22-33(5,30(40)41-20-19-37(9)10)16-15-32(25,4)17-18-35(24,36)7/h21,25,27-29H,11-20,22H2,1-10H3/t25-,27-,28-,29+,32+,33-,34-,35+,36+/m0/s1
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n/an/a 1.23E+4n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE1 in human liver microsomes using 2-(2-Benzoyl-3-methoxyphenyl) benzothiazole as substrate preincubated for 10 mins followed by subst...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50154560
PNG
(CHEMBL3775118)
Show SMILES CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1S/C32H52O3/c1-9-35-26(34)29(5)17-16-28(4)18-19-31(7)21(22(28)20-29)10-11-24-30(6)14-13-25(33)27(2,3)23(30)12-15-32(24,31)8/h10,22-25,33H,9,11-20H2,1-8H3/t22-,23-,24+,25-,28+,29-,30-,31+,32+/m0/s1
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n/an/a 2.51E+4n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE1 in human liver microsomes using 2-(2-Benzoyl-3-methoxyphenyl) benzothiazole as substrate preincubated for 10 mins followed by subst...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50154560
PNG
(CHEMBL3775118)
Show SMILES CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1S/C32H52O3/c1-9-35-26(34)29(5)17-16-28(4)18-19-31(7)21(22(28)20-29)10-11-24-30(6)14-13-25(33)27(2,3)23(30)12-15-32(24,31)8/h10,22-25,33H,9,11-20H2,1-8H3/t22-,23-,24+,25-,28+,29-,30-,31+,32+/m0/s1
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n/an/a 3.99E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50154558
PNG
(CHEMBL3775320)
Show SMILES CN(C)CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1S/C36H57NO5/c1-23(38)42-28-12-13-34(6)27(31(28,2)3)11-14-36(8)29(34)26(39)21-24-25-22-33(5,30(40)41-20-19-37(9)10)16-15-32(25,4)17-18-35(24,36)7/h21,25,27-29H,11-20,22H2,1-10H3/t25-,27-,28-,29+,32+,33-,34-,35+,36+/m0/s1
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n/an/a 3.42E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50154557
PNG
(CHEMBL3775481)
Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C#N)C1(C)C
Show InChI InChI=1S/C32H47NO3/c1-20(34)36-25-10-11-30(6)24(27(25,2)3)9-12-32(8)26(30)23(35)17-21-22-18-28(4,19-33)13-14-29(22,5)15-16-31(21,32)7/h17,22,24-26H,9-16,18H2,1-8H3/t22-,24-,25-,26+,28-,29+,30-,31+,32+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50154555
PNG
(CHEMBL3775916)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(N)=O
Show InChI InChI=1S/C30H47NO3/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)33)20(32)16-18-19-17-27(4,24(31)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,33H,8-15,17H2,1-7H3,(H2,31,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
NCI pathway
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UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.42E+4n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154515
PNG
(CHEMBL3774903)
Show SMILES C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccncc1
Show InChI InChI=1S/C24H25N5O/c1-2-4-19-17(3-1)18-13-20(24-26-14-21(29-24)15-5-9-25-10-6-15)28-22(23(18)27-19)16-7-11-30-12-8-16/h1-6,9-10,14,16,20,22,27-28H,7-8,11-13H2,(H,26,29)/t20-,22-/m1/s1
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
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UniChem

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Article
PubMed
n/an/a 7.52E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair