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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 2' and Ligand = 'BDBM50496022'   
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))		BDBM50496022
PNG
(CHEMBL3122130)
Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O)[C@@H](C)O |r|
Show InChI InChI=1S/C92H130N22O26S2/c1-53(98-74(120)46-111-31-33-112(47-75(121)122)35-37-114(49-77(125)126)38-36-113(34-32-111)48-76(123)124)80(127)97-45-73(119)99-70-51-141-142-52-71(92(139)140)108-88(135)69(50-115)107-91(138)79(55(3)117)110-87(134)66(41-58-23-11-6-12-24-58)106-90(137)78(54(2)116)109-82(129)63(28-16-18-30-94)100-85(132)67(42-59-44-96-61-26-14-13-25-60(59)61)104-84(131)65(40-57-21-9-5-10-22-57)102-83(130)64(39-56-19-7-4-8-20-56)103-86(133)68(43-72(95)118)105-81(128)62(101-89(70)136)27-15-17-29-93/h4-14,19-26,44,53-55,62-71,78-79,96,115-117H,15-18,27-43,45-52,93-94H2,1-3H3,(H2,95,118)(H,97,127)(H,98,120)(H,99,119)(H,100,132)(H,101,136)(H,102,130)(H,103,133)(H,104,131)(H,105,128)(H,106,137)(H,107,138)(H,108,135)(H,109,129)(H,110,134)(H,121,122)(H,123,124)(H,125,126)(H,139,140)/t53-,54+,55+,62-,63-,64-,65-,66-,67+,68-,69-,70-,71-,78-,79-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



INRASTES

Curated by ChEMBL


Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST2 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis

Eur J Med Chem 73: 30-7 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75
More data for this
Ligand-Target Pair