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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 = 'BDBM50243516'   
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))
BDBM50243516
PNG
((2R)-2-amino-N-[(4R,7S,10S,13R,16S,19S)-4-{[(1S)-1...)
Show SMILES CNCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C59H70ClN11O10S2/c1-33(72)51-59(81)70-50(57(79)66-46(52(62)74)28-36-14-19-37-9-3-4-10-38(37)25-36)32-83-82-31-49(69-53(75)43(61)26-34-15-20-40(60)21-16-34)58(80)67-47(27-35-17-22-41(73)23-18-35)55(77)68-48(29-39-30-64-44-12-6-5-11-42(39)44)56(78)65-45(54(76)71-51)13-7-8-24-63-2/h3-6,9-12,14-23,25,30,33,43,45-51,63-64,72-73H,7-8,13,24,26-29,31-32,61H2,1-2H3,(H2,62,74)(H,65,78)(H,66,79)(H,67,80)(H,68,77)(H,69,75)(H,70,81)(H,71,76)/t33-,43-,45+,46+,47+,48-,49-,50+,51+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.51n/an/an/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Binding affinity to human cloned sst2 receptor


J Med Chem 51: 4030-7 (2008)


Article DOI: 10.1021/jm701618q
BindingDB Entry DOI: 10.7270/Q22J6CSW
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50243516
PNG
((2R)-2-amino-N-[(4R,7S,10S,13R,16S,19S)-4-{[(1S)-1...)
Show SMILES CNCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C59H70ClN11O10S2/c1-33(72)51-59(81)70-50(57(79)66-46(52(62)74)28-36-14-19-37-9-3-4-10-38(37)25-36)32-83-82-31-49(69-53(75)43(61)26-34-15-20-40(60)21-16-34)58(80)67-47(27-35-17-22-41(73)23-18-35)55(77)68-48(29-39-30-64-44-12-6-5-11-42(39)44)56(78)65-45(54(76)71-51)13-7-8-24-63-2/h3-6,9-12,14-23,25,30,33,43,45-51,63-64,72-73H,7-8,13,24,26-29,31-32,61H2,1-2H3,(H2,62,74)(H,65,78)(H,66,79)(H,67,80)(H,68,77)(H,69,75)(H,70,81)(H,71,76)/t33-,43-,45+,46+,47+,48-,49-,50+,51+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Displacement of [125I][LTT]SRIF28 from human cloned sst2 receptor by autoradiography


J Med Chem 51: 4030-7 (2008)


Article DOI: 10.1021/jm701618q
BindingDB Entry DOI: 10.7270/Q22J6CSW
More data for this
Ligand-Target Pair