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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 3' and Ligand = 'BDBM50400524'   
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


(MOUSE)
BDBM50400524
PNG
(CHEMBL2204939)
Show SMILES Cn1cc(cn1)C1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C28H25FN8/c1-36-15-18(12-31-36)28(19-13-32-37(2)16-19)26-22(21-5-3-4-6-23(21)33-26)11-24(35-28)27-30-14-25(34-27)17-7-9-20(29)10-8-17/h3-10,12-16,24,33,35H,11H2,1-2H3,(H,30,34)/t24-/m1/s1
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Article
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n/an/a 0.460n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-28 from mouse SSTR3 transfected in CHO cells after 60 to 90 mins


ACS Med Chem Lett 3: 484-489 (2012)


Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)
BDBM50400524
PNG
(CHEMBL2204939)
Show SMILES Cn1cc(cn1)C1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C28H25FN8/c1-36-15-18(12-31-36)28(19-13-32-37(2)16-19)26-22(21-5-3-4-6-23(21)33-26)11-24(35-28)27-30-14-25(34-27)17-7-9-20(29)10-8-17/h3-10,12-16,24,33,35H,11H2,1-2H3,(H,30,34)/t24-/m1/s1
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n/an/a 0.480n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse SSTR3 transfected in CHO cells assessed as inhibition of SRIF-induced reduction of cAMP accumulation after 45 mins


ACS Med Chem Lett 3: 484-489 (2012)


Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50400524
PNG
(CHEMBL2204939)
Show SMILES Cn1cc(cn1)C1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C28H25FN8/c1-36-15-18(12-31-36)28(19-13-32-37(2)16-19)26-22(21-5-3-4-6-23(21)33-26)11-24(35-28)27-30-14-25(34-27)17-7-9-20(29)10-8-17/h3-10,12-16,24,33,35H,11H2,1-2H3,(H,30,34)/t24-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human SSTR3 transfected in CHO cells assessed as inhibition of SRIF-induced reduction of cAMP accumulation after 45 mins


ACS Med Chem Lett 3: 484-489 (2012)


Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50400524
PNG
(CHEMBL2204939)
Show SMILES Cn1cc(cn1)C1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C28H25FN8/c1-36-15-18(12-31-36)28(19-13-32-37(2)16-19)26-22(21-5-3-4-6-23(21)33-26)11-24(35-28)27-30-14-25(34-27)17-7-9-20(29)10-8-17/h3-10,12-16,24,33,35H,11H2,1-2H3,(H,30,34)/t24-/m1/s1
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PC sid
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Article
PubMed
n/an/a 0.740n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-28 from human SSTR3 transfected in CHO cells after 60 to 90 mins


ACS Med Chem Lett 3: 484-489 (2012)


Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C
More data for this
Ligand-Target Pair