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9 similar compounds to monomer 50154523

Compile data set for download or QSAR
Wt: 583.8
BDBM50154558
Wt: 399.4
BDBM50154516
Wt: 404.5
BDBM50154519
Wt: 378.5
BDBM50154535
Wt: 434.4
BDBM50154520
Wt: 442.5
BDBM50154522
Wt: 482.4
BDBM50154525
Wt: 418.5
BDBM50154542
Wt: 429.5
BDBM50154509

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50154558,50154516,50154519,50154535,50154520,50154522,50154525,50154542,50154509   
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)
BDBM50154509
PNG
(CHEMBL3775387)
Show SMILES COc1cccc(n1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1
Show InChI InChI=1S/C25H27N5O2/c1-31-22-8-4-7-19(27-22)21-14-26-25(30-21)20-13-17-16-5-2-3-6-18(16)28-24(17)23(29-20)15-9-11-32-12-10-15/h2-8,14-15,20,23,28-29H,9-13H2,1H3,(H,26,30)/t20-,23-/m1/s1
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n/an/a 1.03E+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
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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154519
PNG
(CHEMBL3774626)
Show SMILES C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccsc1
Show InChI InChI=1S/C23H24N4OS/c1-2-4-18-16(3-1)17-11-19(23-24-12-20(27-23)15-7-10-29-13-15)26-21(22(17)25-18)14-5-8-28-9-6-14/h1-4,7,10,12-14,19,21,25-26H,5-6,8-9,11H2,(H,24,27)/t19-,21-/m1/s1
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n/an/a 146n/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)
BDBM50154525
PNG
(CHEMBL3775316)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1
Show InChI InChI=1S/C26H25F3N4O2/c27-26(28,29)35-17-7-5-15(6-8-17)22-14-30-25(33-22)21-13-19-18-3-1-2-4-20(18)31-24(19)23(32-21)16-9-11-34-12-10-16/h1-8,14,16,21,23,31-32H,9-13H2,(H,30,33)/t21-,23-/m1/s1
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n/an/a 130n/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)
BDBM50154535
PNG
(CHEMBL3775825)
Show SMILES CC(C)(C)c1c[nH]c(n1)C1Cc2c([nH]c3ccccc23)C(N1)C1CCOCC1
Show InChI InChI=1S/C23H30N4O/c1-23(2,3)19-13-24-22(27-19)18-12-16-15-6-4-5-7-17(15)25-21(16)20(26-18)14-8-10-28-11-9-14/h4-7,13-14,18,20,25-26H,8-12H2,1-3H3,(H,24,27)
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n/an/a 2.94E+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))
BDBM50154509
PNG
(CHEMBL3775387)
Show SMILES COc1cccc(n1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1
Show InChI InChI=1S/C25H27N5O2/c1-31-22-8-4-7-19(27-22)21-14-26-25(30-21)20-13-17-16-5-2-3-6-18(16)28-24(17)23(29-20)15-9-11-32-12-10-15/h2-8,14-15,20,23,28-29H,9-13H2,1H3,(H,26,30)/t20-,23-/m1/s1
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n/an/an/an/a 3.10n/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))
BDBM50154542
PNG
(CHEMBL3775055)
Show SMILES Cc1csc(c1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1
Show InChI InChI=1S/C24H26N4OS/c1-14-10-21(30-13-14)20-12-25-24(28-20)19-11-17-16-4-2-3-5-18(16)26-23(17)22(27-19)15-6-8-29-9-7-15/h2-5,10,12-13,15,19,22,26-27H,6-9,11H2,1H3,(H,25,28)/t19-,22-/m1/s1
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n/an/an/an/a 138n/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))
BDBM50154519
PNG
(CHEMBL3774626)
Show SMILES C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccsc1
Show InChI InChI=1S/C23H24N4OS/c1-2-4-18-16(3-1)17-11-19(23-24-12-20(27-23)15-7-10-29-13-15)26-21(22(17)25-18)14-5-8-28-9-6-14/h1-4,7,10,12-14,19,21,25-26H,5-6,8-9,11H2,(H,24,27)/t19-,21-/m1/s1
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n/an/an/an/a 48n/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))
BDBM50154525
PNG
(CHEMBL3775316)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1
Show InChI InChI=1S/C26H25F3N4O2/c27-26(28,29)35-17-7-5-15(6-8-17)22-14-30-25(33-22)21-13-19-18-3-1-2-4-20(18)31-24(19)23(32-21)16-9-11-34-12-10-16/h1-8,14,16,21,23,31-32H,9-13H2,(H,30,33)/t21-,23-/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))
BDBM50154535
PNG
(CHEMBL3775825)
Show SMILES CC(C)(C)c1c[nH]c(n1)C1Cc2c([nH]c3ccccc23)C(N1)C1CCOCC1
Show InChI InChI=1S/C23H30N4O/c1-23(2,3)19-13-24-22(27-19)18-12-16-15-6-4-5-7-17(15)25-21(16)20(26-18)14-8-10-28-11-9-14/h4-7,13-14,18,20,25-26H,8-12H2,1-3H3,(H,24,27)
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n/an/an/an/a 1.01E+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))
BDBM50154509
PNG
(CHEMBL3775387)
Show SMILES COc1cccc(n1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1
Show InChI InChI=1S/C25H27N5O2/c1-31-22-8-4-7-19(27-22)21-14-26-25(30-21)20-13-17-16-5-2-3-6-18(16)28-24(17)23(29-20)15-9-11-32-12-10-15/h2-8,14-15,20,23,28-29H,9-13H2,1H3,(H,26,30)/t20-,23-/m1/s1
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n/an/a 8n/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))
BDBM50154542
PNG
(CHEMBL3775055)
Show SMILES Cc1csc(c1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1
Show InChI InChI=1S/C24H26N4OS/c1-14-10-21(30-13-14)20-12-25-24(28-20)19-11-17-16-4-2-3-5-18(16)26-23(17)22(27-19)15-6-8-29-9-7-15/h2-5,10,12-13,15,19,22,26-27H,6-9,11H2,1H3,(H,25,28)/t19-,22-/m1/s1
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n/an/a 34n/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))
BDBM50154519
PNG
(CHEMBL3774626)
Show SMILES C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccsc1
Show InChI InChI=1S/C23H24N4OS/c1-2-4-18-16(3-1)17-11-19(23-24-12-20(27-23)15-7-10-29-13-15)26-21(22(17)25-18)14-5-8-28-9-6-14/h1-4,7,10,12-14,19,21,25-26H,5-6,8-9,11H2,(H,24,27)/t19-,21-/m1/s1
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n/an/a 15n/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))
BDBM50154525
PNG
(CHEMBL3775316)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1
Show InChI InChI=1S/C26H25F3N4O2/c27-26(28,29)35-17-7-5-15(6-8-17)22-14-30-25(33-22)21-13-19-18-3-1-2-4-20(18)31-24(19)23(32-21)16-9-11-34-12-10-16/h1-8,14,16,21,23,31-32H,9-13H2,(H,30,33)/t21-,23-/m1/s1
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n/an/a 639n/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))
BDBM50154535
PNG
(CHEMBL3775825)
Show SMILES CC(C)(C)c1c[nH]c(n1)C1Cc2c([nH]c3ccccc23)C(N1)C1CCOCC1
Show InChI InChI=1S/C23H30N4O/c1-23(2,3)19-13-24-22(27-19)18-12-16-15-6-4-5-7-17(15)25-21(16)20(26-18)14-8-10-28-11-9-14/h4-7,13-14,18,20,25-26H,8-12H2,1-3H3,(H,24,27)
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n/an/a 150n/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))
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
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