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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 1' and Ligand = 'BDBM50081055'   
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 1


(Homo sapiens (Human))
BDBM50081055
PNG
(CHEMBL3421843 | US10166214, Example 49 | US1067526...)
Show SMILES [H][C@@]12CNC[C@]1([H])[C@H]2C(=O)NC(C)(C)c1nn(C)c2ccccc12 |r|
Show InChI InChI=1S/C17H22N4O/c1-17(2,19-16(22)14-11-8-18-9-12(11)14)15-10-6-4-5-7-13(10)21(3)20-15/h4-7,11-12,14,18H,8-9H2,1-3H3,(H,19,22)/t11-,12+,14+
KEGG

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Article
PubMed
4.54E+3n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3-125l-Tyr]-somatostatin-(1 -14) from human recombinant somatostatin 1 receptor expressed in CHO cell membranes incubated for 180 mi...


ACS Med Chem Lett 6: 110-1 (2015)


Article DOI: 10.1021/ml500538a
BindingDB Entry DOI: 10.7270/Q2MC91RP
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50081055
PNG
(CHEMBL3421843 | US10166214, Example 49 | US1067526...)
Show SMILES [H][C@@]12CNC[C@]1([H])[C@H]2C(=O)NC(C)(C)c1nn(C)c2ccccc12 |r|
Show InChI InChI=1S/C17H22N4O/c1-17(2,19-16(22)14-11-8-18-9-12(11)14)15-10-6-4-5-7-13(10)21(3)20-15/h4-7,11-12,14,18H,8-9H2,1-3H3,(H,19,22)/t11-,12+,14+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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US Patent
4.54E+3n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
Receptor binding assays refer to a technique in which labeled receptor ligands are used to detect binding to a receptor. In competition experiments t...


US Patent US10675268 (2020)


BindingDB Entry DOI: 10.7270/Q21C20XK
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50081055
PNG
(CHEMBL3421843 | US10166214, Example 49 | US1067526...)
Show SMILES [H][C@@]12CNC[C@]1([H])[C@H]2C(=O)NC(C)(C)c1nn(C)c2ccccc12 |r|
Show InChI InChI=1S/C17H22N4O/c1-17(2,19-16(22)14-11-8-18-9-12(11)14)15-10-6-4-5-7-13(10)21(3)20-15/h4-7,11-12,14,18H,8-9H2,1-3H3,(H,19,22)/t11-,12+,14+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
4.54E+3n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
Receptor binding assays refer to a technique in which labeled receptor ligands are used to detect binding to a receptor. In competition experiments t...


US Patent US9789082 (2017)


BindingDB Entry DOI: 10.7270/Q2CN760Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50081055
PNG
(CHEMBL3421843 | US10166214, Example 49 | US1067526...)
Show SMILES [H][C@@]12CNC[C@]1([H])[C@H]2C(=O)NC(C)(C)c1nn(C)c2ccccc12 |r|
Show InChI InChI=1S/C17H22N4O/c1-17(2,19-16(22)14-11-8-18-9-12(11)14)15-10-6-4-5-7-13(10)21(3)20-15/h4-7,11-12,14,18H,8-9H2,1-3H3,(H,19,22)/t11-,12+,14+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
4.54E+3n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
For the binding experiments 200 μL of membrane homogenate from one of the following protein amounts is used: hSSTR1 (40 μg/well); hSSTR2 (2...


US Patent US10166214 (2019)


BindingDB Entry DOI: 10.7270/Q2D50Q16
More data for this
Ligand-Target Pair