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Compile Data Set for Download or QSAR

Found 59 hits Enz. Inhib. hit(s) with all data for entry = 50003208   
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
Somatostatin receptor type 5


(Mus musculus)
BDBM50468129
PNG
(CHEMBL4288848)
Show SMILES CCOc1cc(CN2CCC(COc3cccc4cccnc34)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C32H35FN2O3/c1-3-36-29-19-24(20-30(37-4-2)31(29)25-10-12-27(33)13-11-25)21-35-17-14-23(15-18-35)22-38-28-9-5-7-26-8-6-16-34-32(26)28/h5-13,16,19-20,23H,3-4,14-15,17-18,21-22H2,1-2H3
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n/an/a 0.600n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of (3-125I-Tyr11)-SRIF-28 from mouse SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468133
PNG
(CHEMBL4278161)
Show SMILES CCOc1cc(CN2CCC(CC2)C2CCN(CC2)S(=O)(=O)c2ccccc2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C33H41FN2O4S/c1-3-39-31-22-25(23-32(40-4-2)33(31)28-10-12-29(34)13-11-28)24-35-18-14-26(15-19-35)27-16-20-36(21-17-27)41(37,38)30-8-6-5-7-9-30/h5-13,22-23,26-27H,3-4,14-21,24H2,1-2H3
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n/an/a 0.700n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of (3-125I-Tyr11)-SRIF-28 from human SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Mus musculus)
BDBM50468133
PNG
(CHEMBL4278161)
Show SMILES CCOc1cc(CN2CCC(CC2)C2CCN(CC2)S(=O)(=O)c2ccccc2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C33H41FN2O4S/c1-3-39-31-22-25(23-32(40-4-2)33(31)28-10-12-29(34)13-11-28)24-35-18-14-26(15-19-35)27-16-20-36(21-17-27)41(37,38)30-8-6-5-7-9-30/h5-13,22-23,26-27H,3-4,14-21,24H2,1-2H3
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Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of (3-125I-Tyr11)-SRIF-28 from mouse SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Mus musculus)
BDBM50468128
PNG
(CHEMBL4282052)
Show SMILES OC(=O)C(F)(F)F.CCOc1cc(CN2CCC3(CN(C(=O)C3)c3ccc(cc3)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C32H35FN2O5/c1-3-39-27-17-22(18-28(40-4-2)30(27)23-5-9-25(33)10-6-23)20-34-15-13-32(14-16-34)19-29(36)35(21-32)26-11-7-24(8-12-26)31(37)38/h5-12,17-18H,3-4,13-16,19-21H2,1-2H3,(H,37,38)
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n/an/a 0.900n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR5 expressed in CHO-K1 cell membranes assessed as reduction in SST-28-induced inhibition of forskolin-stimulated cAMP...


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Mus musculus)
BDBM50322981
PNG
(CHEMBL1210207 | N-(1-((2,6-diethoxy-4'-fluorobiphe...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C29H34FN3O3/c1-4-35-26-15-21(16-27(36-5-2)28(26)22-6-8-24(30)9-7-22)19-33-12-10-25(11-13-33)32-29(34)23-14-20(3)17-31-18-23/h6-9,14-18,25H,4-5,10-13,19H2,1-3H3,(H,32,34)
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Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of (3-125I-Tyr11)-SRIF-28 from mouse SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468128
PNG
(CHEMBL4282052)
Show SMILES OC(=O)C(F)(F)F.CCOc1cc(CN2CCC3(CN(C(=O)C3)c3ccc(cc3)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C32H35FN2O5/c1-3-39-27-17-22(18-28(40-4-2)30(27)23-5-9-25(33)10-6-23)20-34-15-13-32(14-16-34)19-29(36)35(21-32)26-11-7-24(8-12-26)31(37)38/h5-12,17-18H,3-4,13-16,19-21H2,1-2H3,(H,37,38)
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Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR5 expressed in CHO-K1 cell membranes assessed as reduction in SST-28-induced inhibition of forskolin-stimulated cAMP...


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468128
PNG
(CHEMBL4282052)
Show SMILES OC(=O)C(F)(F)F.CCOc1cc(CN2CCC3(CN(C(=O)C3)c3ccc(cc3)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C32H35FN2O5/c1-3-39-27-17-22(18-28(40-4-2)30(27)23-5-9-25(33)10-6-23)20-34-15-13-32(14-16-34)19-29(36)35(21-32)26-11-7-24(8-12-26)31(37)38/h5-12,17-18H,3-4,13-16,19-21H2,1-2H3,(H,37,38)
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Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of (3-125I-Tyr11)-SRIF-28 from human SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50322981
PNG
(CHEMBL1210207 | N-(1-((2,6-diethoxy-4'-fluorobiphe...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C29H34FN3O3/c1-4-35-26-15-21(16-27(36-5-2)28(26)22-6-8-24(30)9-7-22)19-33-12-10-25(11-13-33)32-29(34)23-14-20(3)17-31-18-23/h6-9,14-18,25H,4-5,10-13,19H2,1-3H3,(H,32,34)
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n/an/a 1.30n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of (3-125I-Tyr11)-SRIF-28 from human SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468130
PNG
(CHEMBL4292255)
Show SMILES CCOc1cc(CN2CCC3(CC(Cc4ccc(F)cc4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C32H35F2NO4/c1-3-37-28-18-23(19-29(38-4-2)30(28)24-7-11-27(34)12-8-24)21-35-15-13-32(14-16-35)20-25(31(36)39-32)17-22-5-9-26(33)10-6-22/h5-12,18-19,25H,3-4,13-17,20-21H2,1-2H3
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n/an/a 1.60n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of (3-125I-Tyr11)-SRIF-28 from human SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Mus musculus)
BDBM50468128
PNG
(CHEMBL4282052)
Show SMILES OC(=O)C(F)(F)F.CCOc1cc(CN2CCC3(CN(C(=O)C3)c3ccc(cc3)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C32H35FN2O5/c1-3-39-27-17-22(18-28(40-4-2)30(27)23-5-9-25(33)10-6-23)20-34-15-13-32(14-16-34)19-29(36)35(21-32)26-11-7-24(8-12-26)31(37)38/h5-12,17-18H,3-4,13-16,19-21H2,1-2H3,(H,37,38)
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Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of (3-125I-Tyr11)-SRIF-28 from mouse SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468131
PNG
(CHEMBL4277106)
Show SMILES [H][C@@]12CCN(Cc3cc(OCC)c(c(OCC)c3)-c3ccc(F)cc3)[C@]1([H])CCC2Nc1nc2ccc(cc2o1)C(O)=O |r|
Show InChI InChI=1S/C32H34FN3O5/c1-3-39-28-15-19(16-29(40-4-2)30(28)20-5-8-22(33)9-6-20)18-36-14-13-23-24(11-12-26(23)36)34-32-35-25-10-7-21(31(37)38)17-27(25)41-32/h5-10,15-17,23-24,26H,3-4,11-14,18H2,1-2H3,(H,34,35)(H,37,38)/t23-,24?,26+/m0/s1
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Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of (3-125I-Tyr11)-SRIF-28 from human SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Mus musculus)
BDBM50468130
PNG
(CHEMBL4292255)
Show SMILES CCOc1cc(CN2CCC3(CC(Cc4ccc(F)cc4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C32H35F2NO4/c1-3-37-28-18-23(19-29(38-4-2)30(28)24-7-11-27(34)12-8-24)21-35-15-13-32(14-16-35)20-25(31(36)39-32)17-22-5-9-26(33)10-6-22/h5-12,18-19,25H,3-4,13-17,20-21H2,1-2H3
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Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of (3-125I-Tyr11)-SRIF-28 from mouse SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Mus musculus)
BDBM50322981
PNG
(CHEMBL1210207 | N-(1-((2,6-diethoxy-4'-fluorobiphe...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C29H34FN3O3/c1-4-35-26-15-21(16-27(36-5-2)28(26)22-6-8-24(30)9-7-22)19-33-12-10-25(11-13-33)32-29(34)23-14-20(3)17-31-18-23/h6-9,14-18,25H,4-5,10-13,19H2,1-3H3,(H,32,34)
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n/an/a 2.70n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR5 expressed in CHO-K1 cell membranes assessed as reduction in SST-28-induced inhibition of forskolin-stimulated cAMP...


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Mus musculus)
BDBM50468127
PNG
(CHEMBL4288417)
Show SMILES CCOc1cc(CN2CCC(CC2)c2ncc([nH]2)-c2ccc(F)cc2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C31H33F2N3O2/c1-3-37-28-17-21(18-29(38-4-2)30(28)23-7-11-26(33)12-8-23)20-36-15-13-24(14-16-36)31-34-19-27(35-31)22-5-9-25(32)10-6-22/h5-12,17-19,24H,3-4,13-16,20H2,1-2H3,(H,34,35)
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Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of (3-125I-Tyr11)-SRIF-28 from mouse SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468129
PNG
(CHEMBL4288848)
Show SMILES CCOc1cc(CN2CCC(COc3cccc4cccnc34)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C32H35FN2O3/c1-3-36-29-19-24(20-30(37-4-2)31(29)25-10-12-27(33)13-11-25)21-35-17-14-23(15-18-35)22-38-28-9-5-7-26-8-6-16-34-32(26)28/h5-13,16,19-20,23H,3-4,14-15,17-18,21-22H2,1-2H3
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Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of (3-125I-Tyr11)-SRIF-28 from human SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50322981
PNG
(CHEMBL1210207 | N-(1-((2,6-diethoxy-4'-fluorobiphe...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C29H34FN3O3/c1-4-35-26-15-21(16-27(36-5-2)28(26)22-6-8-24(30)9-7-22)19-33-12-10-25(11-13-33)32-29(34)23-14-20(3)17-31-18-23/h6-9,14-18,25H,4-5,10-13,19H2,1-3H3,(H,32,34)
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Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR5 expressed in CHO-K1 cell membranes assessed as reduction in SST-28-induced inhibition of forskolin-stimulated cAMP...


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468131
PNG
(CHEMBL4277106)
Show SMILES [H][C@@]12CCN(Cc3cc(OCC)c(c(OCC)c3)-c3ccc(F)cc3)[C@]1([H])CCC2Nc1nc2ccc(cc2o1)C(O)=O |r|
Show InChI InChI=1S/C32H34FN3O5/c1-3-39-28-15-19(16-29(40-4-2)30(28)20-5-8-22(33)9-6-20)18-36-14-13-23-24(11-12-26(23)36)34-32-35-25-10-7-21(31(37)38)17-27(25)41-32/h5-10,15-17,23-24,26H,3-4,11-14,18H2,1-2H3,(H,34,35)(H,37,38)/t23-,24?,26+/m0/s1
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Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR5 expressed in CHO-K1 cell membranes assessed as reduction in SST-28-induced inhibition of forskolin-stimulated cAMP...


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Mus musculus)
BDBM50468131
PNG
(CHEMBL4277106)
Show SMILES [H][C@@]12CCN(Cc3cc(OCC)c(c(OCC)c3)-c3ccc(F)cc3)[C@]1([H])CCC2Nc1nc2ccc(cc2o1)C(O)=O |r|
Show InChI InChI=1S/C32H34FN3O5/c1-3-39-28-15-19(16-29(40-4-2)30(28)20-5-8-22(33)9-6-20)18-36-14-13-23-24(11-12-26(23)36)34-32-35-25-10-7-21(31(37)38)17-27(25)41-32/h5-10,15-17,23-24,26H,3-4,11-14,18H2,1-2H3,(H,34,35)(H,37,38)/t23-,24?,26+/m0/s1
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n/an/a 6.10n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR5 expressed in CHO-K1 cell membranes assessed as reduction in SST-28-induced inhibition of forskolin-stimulated cAMP...


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Mus musculus)
BDBM50468129
PNG
(CHEMBL4288848)
Show SMILES CCOc1cc(CN2CCC(COc3cccc4cccnc34)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C32H35FN2O3/c1-3-36-29-19-24(20-30(37-4-2)31(29)25-10-12-27(33)13-11-25)21-35-17-14-23(15-18-35)22-38-28-9-5-7-26-8-6-16-34-32(26)28/h5-13,16,19-20,23H,3-4,14-15,17-18,21-22H2,1-2H3
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n/an/a 7.10n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR5 expressed in CHO-K1 cell membranes assessed as reduction in SST-28-induced inhibition of forskolin-stimulated cAMP...


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Mus musculus)
BDBM50468132
PNG
(CHEMBL4289922)
Show SMILES CCOc1cc(CN2CCC3(CC2)NC(=O)NC3=O)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C24H28FN3O4/c1-3-31-19-13-16(14-20(32-4-2)21(19)17-5-7-18(25)8-6-17)15-28-11-9-24(10-12-28)22(29)26-23(30)27-24/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H2,26,27,29,30)
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n/an/a 7.40n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR5 expressed in CHO-K1 cell membranes assessed as reduction in SST-28-induced inhibition of forskolin-stimulated cAMP...


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468127
PNG
(CHEMBL4288417)
Show SMILES CCOc1cc(CN2CCC(CC2)c2ncc([nH]2)-c2ccc(F)cc2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C31H33F2N3O2/c1-3-37-28-17-21(18-29(38-4-2)30(28)23-7-11-26(33)12-8-23)20-36-15-13-24(14-16-36)31-34-19-27(35-31)22-5-9-25(32)10-6-22/h5-12,17-19,24H,3-4,13-16,20H2,1-2H3,(H,34,35)
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n/an/a 7.60n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of (3-125I-Tyr11)-SRIF-28 from human SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468133
PNG
(CHEMBL4278161)
Show SMILES CCOc1cc(CN2CCC(CC2)C2CCN(CC2)S(=O)(=O)c2ccccc2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C33H41FN2O4S/c1-3-39-31-22-25(23-32(40-4-2)33(31)28-10-12-29(34)13-11-28)24-35-18-14-26(15-19-35)27-16-20-36(21-17-27)41(37,38)30-8-6-5-7-9-30/h5-13,22-23,26-27H,3-4,14-21,24H2,1-2H3
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n/an/a 8.60n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR5 expressed in CHO-K1 cell membranes assessed as reduction in SST-28-induced inhibition of forskolin-stimulated cAMP...


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468126
PNG
(CHEMBL4280531)
Show SMILES CCOc1cc(CN2CCC3(CC2)CCN(CC3)S(=O)(=O)c2cccnc2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C31H38FN3O4S/c1-3-38-28-20-24(21-29(39-4-2)30(28)25-7-9-26(32)10-8-25)23-34-16-11-31(12-17-34)13-18-35(19-14-31)40(36,37)27-6-5-15-33-22-27/h5-10,15,20-22H,3-4,11-14,16-19,23H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of (3-125I-Tyr11)-SRIF-28 from human SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Mus musculus)
BDBM50468134
PNG
(CHEMBL4281620)
Show SMILES CCOc1cc(CN2CCC(CC2)Oc2nccc(Cl)n2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C26H29ClFN3O3/c1-3-32-22-15-18(16-23(33-4-2)25(22)19-5-7-20(28)8-6-19)17-31-13-10-21(11-14-31)34-26-29-12-9-24(27)30-26/h5-9,12,15-16,21H,3-4,10-11,13-14,17H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of (3-125I-Tyr11)-SRIF-28 from mouse SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Mus musculus)
BDBM50468131
PNG
(CHEMBL4277106)
Show SMILES [H][C@@]12CCN(Cc3cc(OCC)c(c(OCC)c3)-c3ccc(F)cc3)[C@]1([H])CCC2Nc1nc2ccc(cc2o1)C(O)=O |r|
Show InChI InChI=1S/C32H34FN3O5/c1-3-39-28-15-19(16-29(40-4-2)30(28)20-5-8-22(33)9-6-20)18-36-14-13-23-24(11-12-26(23)36)34-32-35-25-10-7-21(31(37)38)17-27(25)41-32/h5-10,15-17,23-24,26H,3-4,11-14,18H2,1-2H3,(H,34,35)(H,37,38)/t23-,24?,26+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of (3-125I-Tyr11)-SRIF-28 from mouse SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468134
PNG
(CHEMBL4281620)
Show SMILES CCOc1cc(CN2CCC(CC2)Oc2nccc(Cl)n2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C26H29ClFN3O3/c1-3-32-22-15-18(16-23(33-4-2)25(22)19-5-7-20(28)8-6-19)17-31-13-10-21(11-14-31)34-26-29-12-9-24(27)30-26/h5-9,12,15-16,21H,3-4,10-11,13-14,17H2,1-2H3
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n/an/a 21n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of (3-125I-Tyr11)-SRIF-28 from human SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468126
PNG
(CHEMBL4280531)
Show SMILES CCOc1cc(CN2CCC3(CC2)CCN(CC3)S(=O)(=O)c2cccnc2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C31H38FN3O4S/c1-3-38-28-20-24(21-29(39-4-2)30(28)25-7-9-26(32)10-8-25)23-34-16-11-31(12-17-34)13-18-35(19-14-31)40(36,37)27-6-5-15-33-22-27/h5-10,15,20-22H,3-4,11-14,16-19,23H2,1-2H3
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n/an/a 26n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR5 expressed in CHO-K1 cell membranes assessed as reduction in SST-28-induced inhibition of forskolin-stimulated cAMP...


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Mus musculus)
BDBM50468133
PNG
(CHEMBL4278161)
Show SMILES CCOc1cc(CN2CCC(CC2)C2CCN(CC2)S(=O)(=O)c2ccccc2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C33H41FN2O4S/c1-3-39-31-22-25(23-32(40-4-2)33(31)28-10-12-29(34)13-11-28)24-35-18-14-26(15-19-35)27-16-20-36(21-17-27)41(37,38)30-8-6-5-7-9-30/h5-13,22-23,26-27H,3-4,14-21,24H2,1-2H3
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n/an/a 28n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR5 expressed in CHO-K1 cell membranes assessed as reduction in SST-28-induced inhibition of forskolin-stimulated cAMP...


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Mus musculus)
BDBM50468132
PNG
(CHEMBL4289922)
Show SMILES CCOc1cc(CN2CCC3(CC2)NC(=O)NC3=O)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C24H28FN3O4/c1-3-31-19-13-16(14-20(32-4-2)21(19)17-5-7-18(25)8-6-17)15-28-11-9-24(10-12-28)22(29)26-23(30)27-24/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H2,26,27,29,30)
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n/an/a 32n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of (3-125I-Tyr11)-SRIF-28 from mouse SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468130
PNG
(CHEMBL4292255)
Show SMILES CCOc1cc(CN2CCC3(CC(Cc4ccc(F)cc4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C32H35F2NO4/c1-3-37-28-18-23(19-29(38-4-2)30(28)24-7-11-27(34)12-8-24)21-35-15-13-32(14-16-35)20-25(31(36)39-32)17-22-5-9-26(33)10-6-22/h5-12,18-19,25H,3-4,13-17,20-21H2,1-2H3
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n/an/a 67n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR5 expressed in CHO-K1 cell membranes assessed as reduction in SST-28-induced inhibition of forskolin-stimulated cAMP...


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468129
PNG
(CHEMBL4288848)
Show SMILES CCOc1cc(CN2CCC(COc3cccc4cccnc34)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C32H35FN2O3/c1-3-36-29-19-24(20-30(37-4-2)31(29)25-10-12-27(33)13-11-25)21-35-17-14-23(15-18-35)22-38-28-9-5-7-26-8-6-16-34-32(26)28/h5-13,16,19-20,23H,3-4,14-15,17-18,21-22H2,1-2H3
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n/an/a 68n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR5 expressed in CHO-K1 cell membranes assessed as reduction in SST-28-induced inhibition of forskolin-stimulated cAMP...


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468134
PNG
(CHEMBL4281620)
Show SMILES CCOc1cc(CN2CCC(CC2)Oc2nccc(Cl)n2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C26H29ClFN3O3/c1-3-32-22-15-18(16-23(33-4-2)25(22)19-5-7-20(28)8-6-19)17-31-13-10-21(11-14-31)34-26-29-12-9-24(27)30-26/h5-9,12,15-16,21H,3-4,10-11,13-14,17H2,1-2H3
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n/an/a 73n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR5 expressed in CHO-K1 cell membranes assessed as reduction in SST-28-induced inhibition of forskolin-stimulated cAMP...


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468132
PNG
(CHEMBL4289922)
Show SMILES CCOc1cc(CN2CCC3(CC2)NC(=O)NC3=O)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C24H28FN3O4/c1-3-31-19-13-16(14-20(32-4-2)21(19)17-5-7-18(25)8-6-17)15-28-11-9-24(10-12-28)22(29)26-23(30)27-24/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H2,26,27,29,30)
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n/an/a 83n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of (3-125I-Tyr11)-SRIF-28 from human SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Mus musculus)
BDBM50468127
PNG
(CHEMBL4288417)
Show SMILES CCOc1cc(CN2CCC(CC2)c2ncc([nH]2)-c2ccc(F)cc2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C31H33F2N3O2/c1-3-37-28-17-21(18-29(38-4-2)30(28)23-7-11-26(33)12-8-23)20-36-15-13-24(14-16-36)31-34-19-27(35-31)22-5-9-25(32)10-6-22/h5-12,17-19,24H,3-4,13-16,20H2,1-2H3,(H,34,35)
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n/an/a 98n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR5 expressed in CHO-K1 cell membranes assessed as reduction in SST-28-induced inhibition of forskolin-stimulated cAMP...


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468132
PNG
(CHEMBL4289922)
Show SMILES CCOc1cc(CN2CCC3(CC2)NC(=O)NC3=O)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C24H28FN3O4/c1-3-31-19-13-16(14-20(32-4-2)21(19)17-5-7-18(25)8-6-17)15-28-11-9-24(10-12-28)22(29)26-23(30)27-24/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H2,26,27,29,30)
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n/an/a 110n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR5 expressed in CHO-K1 cell membranes assessed as reduction in SST-28-induced inhibition of forskolin-stimulated cAMP...


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50468127
PNG
(CHEMBL4288417)
Show SMILES CCOc1cc(CN2CCC(CC2)c2ncc([nH]2)-c2ccc(F)cc2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C31H33F2N3O2/c1-3-37-28-17-21(18-29(38-4-2)30(28)23-7-11-26(33)12-8-23)20-36-15-13-24(14-16-36)31-34-19-27(35-31)22-5-9-25(32)10-6-22/h5-12,17-19,24H,3-4,13-16,20H2,1-2H3,(H,34,35)
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n/an/a 119n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR3 expressed in CHO-K1 cell membranes


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50468129
PNG
(CHEMBL4288848)
Show SMILES CCOc1cc(CN2CCC(COc3cccc4cccnc34)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C32H35FN2O3/c1-3-36-29-19-24(20-30(37-4-2)31(29)25-10-12-27(33)13-11-25)21-35-17-14-23(15-18-35)22-38-28-9-5-7-26-8-6-16-34-32(26)28/h5-13,16,19-20,23H,3-4,14-15,17-18,21-22H2,1-2H3
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n/an/a 210n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of MK-499 binding to human ERG


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50468126
PNG
(CHEMBL4280531)
Show SMILES CCOc1cc(CN2CCC3(CC2)CCN(CC3)S(=O)(=O)c2cccnc2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C31H38FN3O4S/c1-3-38-28-20-24(21-29(39-4-2)30(28)25-7-9-26(32)10-8-25)23-34-16-11-31(12-17-34)13-18-35(19-14-31)40(36,37)27-6-5-15-33-22-27/h5-10,15,20-22H,3-4,11-14,16-19,23H2,1-2H3
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n/an/a 210n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of MK-499 binding to human ERG


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50468133
PNG
(CHEMBL4278161)
Show SMILES CCOc1cc(CN2CCC(CC2)C2CCN(CC2)S(=O)(=O)c2ccccc2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C33H41FN2O4S/c1-3-39-31-22-25(23-32(40-4-2)33(31)28-10-12-29(34)13-11-28)24-35-18-14-26(15-19-35)27-16-20-36(21-17-27)41(37,38)30-8-6-5-7-9-30/h5-13,22-23,26-27H,3-4,14-21,24H2,1-2H3
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n/an/a 220n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of MK-499 binding to human ERG


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468127
PNG
(CHEMBL4288417)
Show SMILES CCOc1cc(CN2CCC(CC2)c2ncc([nH]2)-c2ccc(F)cc2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C31H33F2N3O2/c1-3-37-28-17-21(18-29(38-4-2)30(28)23-7-11-26(33)12-8-23)20-36-15-13-24(14-16-36)31-34-19-27(35-31)22-5-9-25(32)10-6-22/h5-12,17-19,24H,3-4,13-16,20H2,1-2H3,(H,34,35)
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n/an/a 247n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR5 expressed in CHO-K1 cell membranes assessed as reduction in SST-28-induced inhibition of forskolin-stimulated cAMP...


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50468127
PNG
(CHEMBL4288417)
Show SMILES CCOc1cc(CN2CCC(CC2)c2ncc([nH]2)-c2ccc(F)cc2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C31H33F2N3O2/c1-3-37-28-17-21(18-29(38-4-2)30(28)23-7-11-26(33)12-8-23)20-36-15-13-24(14-16-36)31-34-19-27(35-31)22-5-9-25(32)10-6-22/h5-12,17-19,24H,3-4,13-16,20H2,1-2H3,(H,34,35)
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n/an/a 260n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of MK-499 binding to human ERG


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50322981
PNG
(CHEMBL1210207 | N-(1-((2,6-diethoxy-4'-fluorobiphe...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C29H34FN3O3/c1-4-35-26-15-21(16-27(36-5-2)28(26)22-6-8-24(30)9-7-22)19-33-12-10-25(11-13-33)32-29(34)23-14-20(3)17-31-18-23/h6-9,14-18,25H,4-5,10-13,19H2,1-3H3,(H,32,34)
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n/an/a<300n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR1 expressed in CHO-K1 cell membranes


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50468130
PNG
(CHEMBL4292255)
Show SMILES CCOc1cc(CN2CCC3(CC(Cc4ccc(F)cc4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C32H35F2NO4/c1-3-37-28-18-23(19-29(38-4-2)30(28)24-7-11-27(34)12-8-24)21-35-15-13-32(14-16-35)20-25(31(36)39-32)17-22-5-9-26(33)10-6-22/h5-12,18-19,25H,3-4,13-17,20-21H2,1-2H3
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n/an/a 950n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of MK-499 binding to human ERG


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50322981
PNG
(CHEMBL1210207 | N-(1-((2,6-diethoxy-4'-fluorobiphe...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C29H34FN3O3/c1-4-35-26-15-21(16-27(36-5-2)28(26)22-6-8-24(30)9-7-22)19-33-12-10-25(11-13-33)32-29(34)23-14-20(3)17-31-18-23/h6-9,14-18,25H,4-5,10-13,19H2,1-3H3,(H,32,34)
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n/an/a 1.69E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of MK-499 binding to human ERG


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50468128
PNG
(CHEMBL4282052)
Show SMILES OC(=O)C(F)(F)F.CCOc1cc(CN2CCC3(CN(C(=O)C3)c3ccc(cc3)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C32H35FN2O5/c1-3-39-27-17-22(18-28(40-4-2)30(27)23-5-9-25(33)10-6-23)20-34-15-13-32(14-16-34)19-29(36)35(21-32)26-11-7-24(8-12-26)31(37)38/h5-12,17-18H,3-4,13-16,19-21H2,1-2H3,(H,37,38)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of prostanoid DP receptor (unknown origin)


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50468131
PNG
(CHEMBL4277106)
Show SMILES [H][C@@]12CCN(Cc3cc(OCC)c(c(OCC)c3)-c3ccc(F)cc3)[C@]1([H])CCC2Nc1nc2ccc(cc2o1)C(O)=O |r|
Show InChI InChI=1S/C32H34FN3O5/c1-3-39-28-15-19(16-29(40-4-2)30(28)20-5-8-22(33)9-6-20)18-36-14-13-23-24(11-12-26(23)36)34-32-35-25-10-7-21(31(37)38)17-27(25)41-32/h5-10,15-17,23-24,26H,3-4,11-14,18H2,1-2H3,(H,34,35)(H,37,38)/t23-,24?,26+/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR1 expressed in CHO-K1 cell membranes


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50468128
PNG
(CHEMBL4282052)
Show SMILES OC(=O)C(F)(F)F.CCOc1cc(CN2CCC3(CN(C(=O)C3)c3ccc(cc3)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C32H35FN2O5/c1-3-39-27-17-22(18-28(40-4-2)30(27)23-5-9-25(33)10-6-23)20-34-15-13-32(14-16-34)19-29(36)35(21-32)26-11-7-24(8-12-26)31(37)38/h5-12,17-18H,3-4,13-16,19-21H2,1-2H3,(H,37,38)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR1 expressed in CHO-K1 cell membranes


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50468128
PNG
(CHEMBL4282052)
Show SMILES OC(=O)C(F)(F)F.CCOc1cc(CN2CCC3(CN(C(=O)C3)c3ccc(cc3)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C32H35FN2O5/c1-3-39-27-17-22(18-28(40-4-2)30(27)23-5-9-25(33)10-6-23)20-34-15-13-32(14-16-34)19-29(36)35(21-32)26-11-7-24(8-12-26)31(37)38/h5-12,17-18H,3-4,13-16,19-21H2,1-2H3,(H,37,38)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR3 expressed in CHO-K1 cell membranes


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50468128
PNG
(CHEMBL4282052)
Show SMILES OC(=O)C(F)(F)F.CCOc1cc(CN2CCC3(CN(C(=O)C3)c3ccc(cc3)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C32H35FN2O5/c1-3-39-27-17-22(18-28(40-4-2)30(27)23-5-9-25(33)10-6-23)20-34-15-13-32(14-16-34)19-29(36)35(21-32)26-11-7-24(8-12-26)31(37)38/h5-12,17-18H,3-4,13-16,19-21H2,1-2H3,(H,37,38)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR4 expressed in CHO-K1 cell membranes


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50468128
PNG
(CHEMBL4282052)
Show SMILES OC(=O)C(F)(F)F.CCOc1cc(CN2CCC3(CN(C(=O)C3)c3ccc(cc3)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C32H35FN2O5/c1-3-39-27-17-22(18-28(40-4-2)30(27)23-5-9-25(33)10-6-23)20-34-15-13-32(14-16-34)19-29(36)35(21-32)26-11-7-24(8-12-26)31(37)38/h5-12,17-18H,3-4,13-16,19-21H2,1-2H3,(H,37,38)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR2 expressed in CHO-K1 cell membranes


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
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