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PubMed code 25050159

Compile data set for download or QSAR
Found 71 hits of Enzyme Inhibition Constant Data   
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 3


(Homo sapiens (Human))
BDBM50054462
PNG
(CHEMBL3323076)
Show SMILES CCOC(=O)c1cncc(c1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
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n/an/a 0.150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)
BDBM50053739
PNG
(CHEMBL3323084)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cncc(c1)C(O)=O |r|
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n/an/a 0.160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)
BDBM50054462
PNG
(CHEMBL3323076)
Show SMILES CCOC(=O)c1cncc(c1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
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n/an/a 0.350n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)
BDBM50054459
PNG
(CHEMBL3323074)
Show SMILES CCOC(=O)c1ccnc(c1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
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n/an/a 0.360n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)
BDBM50054459
PNG
(CHEMBL3323074)
Show SMILES CCOC(=O)c1ccnc(c1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
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n/an/a 0.410n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from mouse SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)
BDBM50054457
PNG
(CHEMBL3323072)
Show SMILES CCOC(=O)c1cccc(n1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
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n/an/a 0.410n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from mouse SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50053739
PNG
(CHEMBL3323084)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cncc(c1)C(O)=O |r|
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n/an/a 0.520n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)
BDBM50054457
PNG
(CHEMBL3323072)
Show SMILES CCOC(=O)c1cccc(n1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
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n/an/a 0.580n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054459
PNG
(CHEMBL3323074)
Show SMILES CCOC(=O)c1ccnc(c1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
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n/an/a 0.640n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)
BDBM50054461
PNG
(CHEMBL3323073)
Show SMILES CCOC(=O)c1cccc(n1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
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n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from mouse SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)
BDBM50053690
PNG
(CHEMBL3323082)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cc(ccn1)C(O)=O |r|
Show InChI InChI=1S/C30H24FN7O2/c1-38-16-19(14-34-38)30(26-12-18(29(39)40)10-11-32-26)27-22(21-4-2-3-5-23(21)35-27)13-24(37-30)28-33-15-25(36-28)17-6-8-20(31)9-7-17/h2-12,14-16,24,35,37H,13H2,1H3,(H,33,36)(H,39,40)/t24-,30+/m1/s1
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n/an/a 0.730n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054459
PNG
(CHEMBL3323074)
Show SMILES CCOC(=O)c1ccnc(c1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
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n/an/a 0.780n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054462
PNG
(CHEMBL3323076)
Show SMILES CCOC(=O)c1cncc(c1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
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n/an/a 0.780n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054457
PNG
(CHEMBL3323072)
Show SMILES CCOC(=O)c1cccc(n1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
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n/an/a 0.830n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50053739
PNG
(CHEMBL3323084)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cncc(c1)C(O)=O |r|
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)
BDBM50054506
PNG
(CHEMBL3323078)
Show SMILES CCOC(=O)c1ccc(nc1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C32H28FN7O2/c1-3-42-31(41)20-10-13-28(34-15-20)32(21-16-36-40(2)18-21)29-24(23-6-4-5-7-25(23)37-29)14-26(39-32)30-35-17-27(38-30)19-8-11-22(33)12-9-19/h4-13,15-18,26,37,39H,3,14H2,1-2H3,(H,35,38)/t26-,32+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054461
PNG
(CHEMBL3323073)
Show SMILES CCOC(=O)c1cccc(n1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)
BDBM50053690
PNG
(CHEMBL3323082)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cc(ccn1)C(O)=O |r|
Show InChI InChI=1S/C30H24FN7O2/c1-38-16-19(14-34-38)30(26-12-18(29(39)40)10-11-32-26)27-22(21-4-2-3-5-23(21)35-27)13-24(37-30)28-33-15-25(36-28)17-6-8-20(31)9-7-17/h2-12,14-16,24,35,37H,13H2,1H3,(H,33,36)(H,39,40)/t24-,30+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from mouse SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054506
PNG
(CHEMBL3323078)
Show SMILES CCOC(=O)c1ccc(nc1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C32H28FN7O2/c1-3-42-31(41)20-10-13-28(34-15-20)32(21-16-36-40(2)18-21)29-24(23-6-4-5-7-25(23)37-29)14-26(39-32)30-35-17-27(38-30)19-8-11-22(33)12-9-19/h4-13,15-18,26,37,39H,3,14H2,1-2H3,(H,35,38)/t26-,32+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50053690
PNG
(CHEMBL3323082)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cc(ccn1)C(O)=O |r|
Show InChI InChI=1S/C30H24FN7O2/c1-38-16-19(14-34-38)30(26-12-18(29(39)40)10-11-32-26)27-22(21-4-2-3-5-23(21)35-27)13-24(37-30)28-33-15-25(36-28)17-6-8-20(31)9-7-17/h2-12,14-16,24,35,37H,13H2,1H3,(H,33,36)(H,39,40)/t24-,30+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054457
PNG
(CHEMBL3323072)
Show SMILES CCOC(=O)c1cccc(n1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50053690
PNG
(CHEMBL3323082)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cc(ccn1)C(O)=O |r|
Show InChI InChI=1S/C30H24FN7O2/c1-38-16-19(14-34-38)30(26-12-18(29(39)40)10-11-32-26)27-22(21-4-2-3-5-23(21)35-27)13-24(37-30)28-33-15-25(36-28)17-6-8-20(31)9-7-17/h2-12,14-16,24,35,37H,13H2,1H3,(H,33,36)(H,39,40)/t24-,30+/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054456
PNG
(CHEMBL3323079)
Show SMILES CCOC(=O)c1ccc(nc1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
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PubMed
n/an/a 2.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)
BDBM50054460
PNG
(CHEMBL3323085)
Show SMILES Cn1cc(cn1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cncc(c1)C(O)=O |r|
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n/an/a 2.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054507
PNG
(CHEMBL3323077)
Show SMILES CCOC(=O)c1cncc(c1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C32H28FN7O2/c1-3-42-31(41)20-12-21(15-34-14-20)32(22-16-36-40(2)18-22)29-25(24-6-4-5-7-26(24)37-29)13-27(39-32)30-35-17-28(38-30)19-8-10-23(33)11-9-19/h4-12,14-18,27,37,39H,3,13H2,1-2H3,(H,35,38)/t27-,32+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)
BDBM50054461
PNG
(CHEMBL3323073)
Show SMILES CCOC(=O)c1cccc(n1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
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n/an/a 3.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)
BDBM50054513
PNG
(CHEMBL3323080)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cccc(n1)C(O)=O |r|
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n/an/a 3.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from mouse SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054513
PNG
(CHEMBL3323080)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cccc(n1)C(O)=O |r|
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n/an/a 4.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054477
PNG
(CHEMBL3323075)
Show SMILES CCOC(=O)c1ccnc(c1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C32H28FN7O2/c1-3-42-31(41)20-12-13-34-28(14-20)32(21-16-36-40(2)18-21)29-24(23-6-4-5-7-25(23)37-29)15-26(39-32)30-35-17-27(38-30)19-8-10-22(33)11-9-19/h4-14,16-18,26,37,39H,3,15H2,1-2H3,(H,35,38)/t26-,32-/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054506
PNG
(CHEMBL3323078)
Show SMILES CCOC(=O)c1ccc(nc1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C32H28FN7O2/c1-3-42-31(41)20-10-13-28(34-15-20)32(21-16-36-40(2)18-21)29-24(23-6-4-5-7-25(23)37-29)14-26(39-32)30-35-17-27(38-30)19-8-11-22(33)12-9-19/h4-13,15-18,26,37,39H,3,14H2,1-2H3,(H,35,38)/t26-,32+/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054461
PNG
(CHEMBL3323073)
Show SMILES CCOC(=O)c1cccc(n1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
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n/an/a 5.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054460
PNG
(CHEMBL3323085)
Show SMILES Cn1cc(cn1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cncc(c1)C(O)=O |r|
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n/an/a 6.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)
BDBM50054507
PNG
(CHEMBL3323077)
Show SMILES CCOC(=O)c1cncc(c1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C32H28FN7O2/c1-3-42-31(41)20-12-21(15-34-14-20)32(22-16-36-40(2)18-22)29-25(24-6-4-5-7-26(24)37-29)13-27(39-32)30-35-17-28(38-30)19-8-10-23(33)11-9-19/h4-12,14-18,27,37,39H,3,13H2,1-2H3,(H,35,38)/t27-,32+/m1/s1
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n/an/a 8.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054460
PNG
(CHEMBL3323085)
Show SMILES Cn1cc(cn1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cncc(c1)C(O)=O |r|
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PubMed
n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)
BDBM50054456
PNG
(CHEMBL3323079)
Show SMILES CCOC(=O)c1ccc(nc1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)
BDBM50054477
PNG
(CHEMBL3323075)
Show SMILES CCOC(=O)c1ccnc(c1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C32H28FN7O2/c1-3-42-31(41)20-12-13-34-28(14-20)32(21-16-36-40(2)18-21)29-24(23-6-4-5-7-25(23)37-29)15-26(39-32)30-35-17-27(38-30)19-8-10-22(33)11-9-19/h4-14,16-18,26,37,39H,3,15H2,1-2H3,(H,35,38)/t26-,32-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)
BDBM50054458
PNG
(CHEMBL3323083)
Show SMILES Cn1cc(cn1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cc(ccn1)C(O)=O |r|
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054507
PNG
(CHEMBL3323077)
Show SMILES CCOC(=O)c1cncc(c1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C32H28FN7O2/c1-3-42-31(41)20-12-21(15-34-14-20)32(22-16-36-40(2)18-22)29-25(24-6-4-5-7-26(24)37-29)13-27(39-32)30-35-17-28(38-30)19-8-10-23(33)11-9-19/h4-12,14-18,27,37,39H,3,13H2,1-2H3,(H,35,38)/t27-,32+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054480
PNG
(CHEMBL3323086)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1ccc(cn1)C(O)=O |r|
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n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054456
PNG
(CHEMBL3323079)
Show SMILES CCOC(=O)c1ccc(nc1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
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n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)
BDBM50054513
PNG
(CHEMBL3323080)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cccc(n1)C(O)=O |r|
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n/an/a 34n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054477
PNG
(CHEMBL3323075)
Show SMILES CCOC(=O)c1ccnc(c1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C32H28FN7O2/c1-3-42-31(41)20-12-13-34-28(14-20)32(21-16-36-40(2)18-21)29-24(23-6-4-5-7-25(23)37-29)15-26(39-32)30-35-17-27(38-30)19-8-10-22(33)11-9-19/h4-14,16-18,26,37,39H,3,15H2,1-2H3,(H,35,38)/t26-,32-/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054458
PNG
(CHEMBL3323083)
Show SMILES Cn1cc(cn1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cc(ccn1)C(O)=O |r|
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n/an/a 52n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)
BDBM50054480
PNG
(CHEMBL3323086)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1ccc(cn1)C(O)=O |r|
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n/an/a 57n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054513
PNG
(CHEMBL3323080)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cccc(n1)C(O)=O |r|
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n/an/a 67n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054458
PNG
(CHEMBL3323083)
Show SMILES Cn1cc(cn1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cc(ccn1)C(O)=O |r|
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n/an/a 73n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054509
PNG
(CHEMBL3323081)
Show SMILES Cn1cc(cn1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cccc(n1)C(O)=O |r|
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n/an/a 75n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054480
PNG
(CHEMBL3323086)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1ccc(cn1)C(O)=O |r|
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n/an/a 87n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054509
PNG
(CHEMBL3323081)
Show SMILES Cn1cc(cn1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cccc(n1)C(O)=O |r|
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n/an/a 105n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)
BDBM50054509
PNG
(CHEMBL3323081)
Show SMILES Cn1cc(cn1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cccc(n1)C(O)=O |r|
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n/an/a 111n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054463
PNG
(CHEMBL3323087)
Show SMILES Cn1cc(cn1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1ccc(cn1)C(O)=O |r|
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n/an/a 409n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50054461
PNG
(CHEMBL3323073)
Show SMILES CCOC(=O)c1cccc(n1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
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n/an/a 625n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by MK-499 displacement binding analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50054457
PNG
(CHEMBL3323072)
Show SMILES CCOC(=O)c1cccc(n1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
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n/an/a 707n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by MK-499 displacement binding analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50054477
PNG
(CHEMBL3323075)
Show SMILES CCOC(=O)c1ccnc(c1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C32H28FN7O2/c1-3-42-31(41)20-12-13-34-28(14-20)32(21-16-36-40(2)18-21)29-24(23-6-4-5-7-25(23)37-29)15-26(39-32)30-35-17-27(38-30)19-8-10-22(33)11-9-19/h4-14,16-18,26,37,39H,3,15H2,1-2H3,(H,35,38)/t26-,32-/m1/s1
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n/an/a 1.21E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by MK-499 displacement binding analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50054459
PNG
(CHEMBL3323074)
Show SMILES CCOC(=O)c1ccnc(c1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
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n/an/a 1.42E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by MK-499 displacement binding analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50054506
PNG
(CHEMBL3323078)
Show SMILES CCOC(=O)c1ccc(nc1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C32H28FN7O2/c1-3-42-31(41)20-10-13-28(34-15-20)32(21-16-36-40(2)18-21)29-24(23-6-4-5-7-25(23)37-29)14-26(39-32)30-35-17-27(38-30)19-8-11-22(33)12-9-19/h4-13,15-18,26,37,39H,3,14H2,1-2H3,(H,35,38)/t26-,32+/m1/s1
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n/an/a 1.61E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by MK-499 displacement binding analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50400517
PNG
(CHEMBL2204935)
Show SMILES Cc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22-,27-/m1/s1
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n/an/a 1.74E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by MK-499 displacement binding analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)
BDBM50054463
PNG
(CHEMBL3323087)
Show SMILES Cn1cc(cn1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1ccc(cn1)C(O)=O |r|
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n/an/a 1.86E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054463
PNG
(CHEMBL3323087)
Show SMILES Cn1cc(cn1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1ccc(cn1)C(O)=O |r|
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n/an/a>2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50054462
PNG
(CHEMBL3323076)
Show SMILES CCOC(=O)c1cncc(c1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
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n/an/a 2.26E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by MK-499 displacement binding analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50054507
PNG
(CHEMBL3323077)
Show SMILES CCOC(=O)c1cncc(c1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C32H28FN7O2/c1-3-42-31(41)20-12-21(15-34-14-20)32(22-16-36-40(2)18-22)29-25(24-6-4-5-7-26(24)37-29)13-27(39-32)30-35-17-28(38-30)19-8-10-23(33)11-9-19/h4-12,14-18,27,37,39H,3,13H2,1-2H3,(H,35,38)/t27-,32+/m1/s1
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n/an/a 2.52E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by MK-499 displacement binding analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50054456
PNG
(CHEMBL3323079)
Show SMILES CCOC(=O)c1ccc(nc1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
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n/an/a 2.85E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by MK-499 displacement binding analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50400517
PNG
(CHEMBL2204935)
Show SMILES Cc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22-,27-/m1/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by functional patch clamp assay


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50054513
PNG
(CHEMBL3323080)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cccc(n1)C(O)=O |r|
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n/an/a 8.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by MK-499 displacement binding analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50053690
PNG
(CHEMBL3323082)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cc(ccn1)C(O)=O |r|
Show InChI InChI=1S/C30H24FN7O2/c1-38-16-19(14-34-38)30(26-12-18(29(39)40)10-11-32-26)27-22(21-4-2-3-5-23(21)35-27)13-24(37-30)28-33-15-25(36-28)17-6-8-20(31)9-7-17/h2-12,14-16,24,35,37H,13H2,1H3,(H,33,36)(H,39,40)/t24-,30+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR2 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50053690
PNG
(CHEMBL3323082)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cc(ccn1)C(O)=O |r|
Show InChI InChI=1S/C30H24FN7O2/c1-38-16-19(14-34-38)30(26-12-18(29(39)40)10-11-32-26)27-22(21-4-2-3-5-23(21)35-27)13-24(37-30)28-33-15-25(36-28)17-6-8-20(31)9-7-17/h2-12,14-16,24,35,37H,13H2,1H3,(H,33,36)(H,39,40)/t24-,30+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR4 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50053690
PNG
(CHEMBL3323082)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cc(ccn1)C(O)=O |r|
Show InChI InChI=1S/C30H24FN7O2/c1-38-16-19(14-34-38)30(26-12-18(29(39)40)10-11-32-26)27-22(21-4-2-3-5-23(21)35-27)13-24(37-30)28-33-15-25(36-28)17-6-8-20(31)9-7-17/h2-12,14-16,24,35,37H,13H2,1H3,(H,33,36)(H,39,40)/t24-,30+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR5 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50053690
PNG
(CHEMBL3323082)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cc(ccn1)C(O)=O |r|
Show InChI InChI=1S/C30H24FN7O2/c1-38-16-19(14-34-38)30(26-12-18(29(39)40)10-11-32-26)27-22(21-4-2-3-5-23(21)35-27)13-24(37-30)28-33-15-25(36-28)17-6-8-20(31)9-7-17/h2-12,14-16,24,35,37H,13H2,1H3,(H,33,36)(H,39,40)/t24-,30+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR1 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50053739
PNG
(CHEMBL3323084)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cncc(c1)C(O)=O |r|
PDB
MMDB

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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by MK-499 displacement binding analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50053739
PNG
(CHEMBL3323084)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cncc(c1)C(O)=O |r|
PDB
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by functional patch clamp assay


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50053690
PNG
(CHEMBL3323082)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cc(ccn1)C(O)=O |r|
Show InChI InChI=1S/C30H24FN7O2/c1-38-16-19(14-34-38)30(26-12-18(29(39)40)10-11-32-26)27-22(21-4-2-3-5-23(21)35-27)13-24(37-30)28-33-15-25(36-28)17-6-8-20(31)9-7-17/h2-12,14-16,24,35,37H,13H2,1H3,(H,33,36)(H,39,40)/t24-,30+/m1/s1
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n/an/a 1.96E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by MK-499 displacement binding analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%