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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 5' and Ligand = 'BDBM50468131'   
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


(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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UniChem
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n/an/a 2.5n/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))
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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PC sid
UniChem
Article
PubMed
n/an/a 4.5n/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)
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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PC cid
PC sid
UniChem
Article
PubMed
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)
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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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
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