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Compile Data Set for Download or QSAR

Found 147 hits Enz. Inhib. hit(s) with all data for entry = 50046023   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50091554
PNG
(CHEMBL3582308)
Show SMILES Fc1ccc(cc1)-c1c[nH]c(n1)[C@@H]1CCc2[nH]c3ccccc3c2C1 |r|
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50n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50389592
PNG
(CHEMBL2069500)
Show SMILES C1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H28N4/c1-3-9-17(10-4-1)23-16-27-26(30-23)22-15-20-19-13-7-8-14-21(19)28-25(20)24(29-22)18-11-5-2-6-12-18/h1,3-4,7-10,13-14,16,18,22,24,28-29H,2,5-6,11-12,15H2,(H,27,30)/t22-,24?/m1/s1
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80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50091555
PNG
(CHEMBL3582307)
Show SMILES Fc1ccc(cc1)-c1c[nH]c(n1)[C@H]1Cc2c(CN1)[nH]c1ccccc21 |r|
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290n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50091553
PNG
(CHEMBL3582309)
Show SMILES C1CCC(CC1)C1O[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
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440n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50091558
PNG
(CHEMBL3582311)
Show SMILES Fc1ccc(cc1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)C(N1)(c1ccccc1)C(F)(F)F |r|
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720n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50091549
PNG
(CHEMBL3582310)
Show SMILES CC1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13?,20-,22?,23?,24?,25-,26-,27-,28-,29?/m1/s1
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2.87E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091509
PNG
(CHEMBL3582344)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(CC(N)=O)c(=O)o1 |r|
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant SSTR3 expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation in presence o...


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091503
PNG
(CHEMBL3582339)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(CC)c(=O)o1 |r|
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n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant SSTR3 expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation in presence o...


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091513
PNG
(CHEMBL3582321)
Show SMILES Cc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(CC2CC2)c1 |r|
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n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant SSTR3 expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation in presence o...


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091507
PNG
(CHEMBL3582342)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(CCN(C)C)c(=O)o1 |r|
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n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant SSTR3 expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation in presence o...


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(RAT)
BDBM50091414
PNG
(CHEMBL3582336)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(C)c(=O)o1 |r|
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n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to rat SSTR3


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(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 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091420
PNG
(CHEMBL3582329)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(SC)o1 |r|
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n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant SSTR3 expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation in presence o...


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50389592
PNG
(CHEMBL2069500)
Show SMILES C1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H28N4/c1-3-9-17(10-4-1)23-16-27-26(30-23)22-15-20-19-13-7-8-14-21(19)28-25(20)24(29-22)18-11-5-2-6-12-18/h1,3-4,7-10,13-14,16,18,22,24,28-29H,2,5-6,11-12,15H2,(H,27,30)/t22-,24?/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091508
PNG
(CHEMBL3582343)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(CC(O)=O)c(=O)o1 |r|
Show InChI InChI=1S/C37H60N4O16/c1-18(2)12-10-8-6-4-5-7-9-11-13-23(45)39-26-30(50)27(47)21(54-36(26)57-35-25(38-19(3)43)29(49)28(48)22(17-42)55-35)16-20(44)33-31(51)32(52)34(56-33)41-15-14-24(46)40-37(41)53/h11,13-15,18,20-22,25-36,42,44,47-52H,4-10,12,16-17H2,1-3H3,(H,38,43)(H,39,45)(H,40,46,53)/b13-11-/t20?,21-,22+,25+,26-,27+,28+,29+,30-,31+,32-,33?,34-,35+,36+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant SSTR3 expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation in presence o...


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091498
PNG
(CHEMBL3582335)
Show SMILES CC(C)n1nc(oc1=O)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C28H26FN9O2/c1-15(2)38-27(39)40-26(36-38)28(16-11-32-37(3)14-16)24-19(18-6-4-5-7-20(18)33-24)10-22(35-28)25-31-13-23(34-25)21-9-8-17(29)12-30-21/h4-9,11-15,22,33,35H,10H2,1-3H3,(H,31,34)/t22-,28-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant SSTR3 expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation in presence o...


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(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 0.900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant SSTR3 expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation in presence o...


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091504
PNG
(CHEMBL3582340)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(C(C)C)c(=O)o1 |r|
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant SSTR3 expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation in presence o...


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091513
PNG
(CHEMBL3582321)
Show SMILES Cc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(CC2CC2)c1 |r|
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091414
PNG
(CHEMBL3582336)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(C)c(=O)o1 |r|
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant SSTR3 expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation in presence o...


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091512
PNG
(CHEMBL3582320)
Show SMILES CCc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(C)c1 |r|
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant SSTR3 expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation in presence o...


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091511
PNG
(CHEMBL3582319)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1noc(C)n1 |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant SSTR3 expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation in presence o...


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)
BDBM50091414
PNG
(CHEMBL3582336)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(C)c(=O)o1 |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from mouse recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091505
PNG
(CHEMBL3582341)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(CC2CC2)c(=O)o1 |r|
Show InChI InChI=1S/C15H23N3O10/c16-3-5-8(21)11(24)14(26-5)27-6(4-19)12-9(22)10(23)13(28-12)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4,16H2,(H,17,20,25)/t5-,6+,8-,9+,10-,11-,12-,13-,14+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant SSTR3 expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation in presence o...


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091505
PNG
(CHEMBL3582341)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(CC2CC2)c(=O)o1 |r|
Show InChI InChI=1S/C15H23N3O10/c16-3-5-8(21)11(24)14(26-5)27-6(4-19)12-9(22)10(23)13(28-12)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4,16H2,(H,17,20,25)/t5-,6+,8-,9+,10-,11-,12-,13-,14+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091426
PNG
(CHEMBL3580681)
Show SMILES CCn1nc(oc1=O)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(C)c1 |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant SSTR3 expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation in presence o...


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091420
PNG
(CHEMBL3582329)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(SC)o1 |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091498
PNG
(CHEMBL3582335)
Show SMILES CC(C)n1nc(oc1=O)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C28H26FN9O2/c1-15(2)38-27(39)40-26(36-38)28(16-11-32-37(3)14-16)24-19(18-6-4-5-7-20(18)33-24)10-22(35-28)25-31-13-23(34-25)21-9-8-17(29)12-30-21/h4-9,11-15,22,33,35H,10H2,1-3H3,(H,31,34)/t22-,28-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091504
PNG
(CHEMBL3582340)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(C(C)C)c(=O)o1 |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091507
PNG
(CHEMBL3582342)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(CCN(C)C)c(=O)o1 |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091558
PNG
(CHEMBL3582311)
Show SMILES Fc1ccc(cc1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)C(N1)(c1ccccc1)C(F)(F)F |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091511
PNG
(CHEMBL3582319)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1noc(C)n1 |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091417
PNG
(CHEMBL3582326)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(C)o1 |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091422
PNG
(CHEMBL3582331)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(NC)o1 |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant SSTR3 expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation in presence o...


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091414
PNG
(CHEMBL3582336)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(C)c(=O)o1 |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091509
PNG
(CHEMBL3582344)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(CC(N)=O)c(=O)o1 |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant SSTR3 expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation in presence o...


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091557
PNG
(CHEMBL3582317)
Show SMILES Cc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(C)c1 |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant SSTR3 expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation in presence o...


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor subtype 3


(Canis lupus familiaris)
BDBM50091414
PNG
(CHEMBL3582336)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(C)c(=O)o1 |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dog SSTR3


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091556
PNG
(CHEMBL3582316)
Show SMILES Fc1ccc(nc1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)C(N1)C1CCCCC1 |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091426
PNG
(CHEMBL3580681)
Show SMILES CCn1nc(oc1=O)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(C)c1 |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091512
PNG
(CHEMBL3582320)
Show SMILES CCc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(C)c1 |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091557
PNG
(CHEMBL3582317)
Show SMILES Cc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(C)c1 |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091503
PNG
(CHEMBL3582339)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(CC)c(=O)o1 |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091419
PNG
(CHEMBL3582328)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(S)o1 |r|
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant SSTR3 expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation in presence o...


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091422
PNG
(CHEMBL3582331)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(NC)o1 |r|
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n/an/a 3.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091418
PNG
(CHEMBL3582327)
Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(O)o1 |r|
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PubMed
n/an/a 3.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant SSTR3 expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation in presence o...


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091425
PNG
(CHEMBL3582334)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(C)c(=O)o1 |r|
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PubMed
n/an/a 4.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091425
PNG
(CHEMBL3582334)
Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(C)c(=O)o1 |r|
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PC sid
UniChem

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Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant SSTR3 expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation in presence o...


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50091416
PNG
(CHEMBL3582325)
Show SMILES CCc1nnc(o1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(C)c1 |r|
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UniChem

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Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay


ACS Med Chem Lett 6: 513-7 (2015)


Article DOI: 10.1021/ml500514w
BindingDB Entry DOI: 10.7270/Q2M61N0H
More data for this
Ligand-Target Pair
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