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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 2' and Ligand = 'BDBM50105465'   
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 2


(Homo sapiens (Human))
BDBM50105465
PNG
((4R,8S,11S,17S)-8-(4-Amino-butyl)-17-(2-amino-3-na...)
Show SMILES CC(C)(C)C1N[C@@H](CSSC[C@@H](NC(=O)C(N)Cc2cccc(F)c2)C(=O)NC(Cc2cccnc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C1=O)C(=O)NC(Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C58H70FN11O7S2/c1-58(2,3)51-50(71)44(22-8-9-23-60)66-55(75)47(29-38-31-64-43-21-7-6-20-41(38)43)69-54(74)46(27-35-14-12-24-63-30-35)68-57(77)49(70-53(73)42(61)26-34-13-10-18-39(59)25-34)33-79-78-32-48(65-51)56(76)67-45(52(62)72)28-37-17-11-16-36-15-4-5-19-40(36)37/h4-7,10-21,24-25,30-31,42,44-49,51,64-65H,8-9,22-23,26-29,32-33,60-61H2,1-3H3,(H2,62,72)(H,66,75)(H,67,76)(H,68,77)(H,69,74)(H,70,73)/t42?,44-,45?,46?,47-,48-,49+,51?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.10n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound towards binding of sst2 receptor using [125I]-somatostatin as radioligand in Neuro2A cells


Bioorg Med Chem Lett 11: 2731-4 (2001)


BindingDB Entry DOI: 10.7270/Q2JW8D5S
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50105465
PNG
((4R,8S,11S,17S)-8-(4-Amino-butyl)-17-(2-amino-3-na...)
Show SMILES CC(C)(C)C1N[C@@H](CSSC[C@@H](NC(=O)C(N)Cc2cccc(F)c2)C(=O)NC(Cc2cccnc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C1=O)C(=O)NC(Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C58H70FN11O7S2/c1-58(2,3)51-50(71)44(22-8-9-23-60)66-55(75)47(29-38-31-64-43-21-7-6-20-41(38)43)69-54(74)46(27-35-14-12-24-63-30-35)68-57(77)49(70-53(73)42(61)26-34-13-10-18-39(59)25-34)33-79-78-32-48(65-51)56(76)67-45(52(62)72)28-37-17-11-16-36-15-4-5-19-40(36)37/h4-7,10-21,24-25,30-31,42,44-49,51,64-65H,8-9,22-23,26-29,32-33,60-61H2,1-3H3,(H2,62,72)(H,66,75)(H,67,76)(H,68,77)(H,69,74)(H,70,73)/t42?,44-,45?,46?,47-,48-,49+,51?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 270n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound towards sst2 receptor in GH4C1 cells a concentration of 1-2 x 10e6/mL incubated for 20 minutes


Bioorg Med Chem Lett 11: 2731-4 (2001)


BindingDB Entry DOI: 10.7270/Q2JW8D5S
More data for this
Ligand-Target Pair