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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 = 'BDBM144776'   
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))
BDBM144776
PNG
(US8952128, 33)
Show SMILES C[C@@H](O)[C@@H]1NC(=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](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)NC[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 |r|
Show InChI InChI=1/C87H111N17O12S/c1-52(105)78-86(116)102-71(43-56-30-34-62(107)35-31-56)79(109)91-37-14-12-24-68(95-48-60(39-55-28-32-61(106)33-29-55)96-76(108)51-117-50-57-40-65-64-22-15-26-67-77(64)59(47-94-67)45-75(65)104(2)49-57)80(110)97-70(27-16-38-92-87(89)90)81(111)99-72(41-53-17-5-3-6-18-53)83(113)100-73(42-54-19-7-4-8-20-54)84(114)101-74(44-58-46-93-66-23-10-9-21-63(58)66)85(115)98-69(82(112)103-78)25-11-13-36-88/h3-10,15,17-23,26,28-35,46-47,52,57,60,65,68-75,78,93-95,105-107H,11-14,16,24-25,27,36-45,48-51,88H2,1-2H3,(H,91,109)(H,96,108)(H,97,110)(H,98,115)(H,99,111)(H,100,113)(H,101,114)(H,102,116)(H,103,112)(H4,89,90,92)/t52-,57-,60+,65-,68-,69+,70+,71+,72+,73+,74-,75-,78+/s2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.240 -54.9n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair