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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 = 'BDBM144759'   
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))
BDBM144759
PNG
(US8952128, 17)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O)NC[C@H](CCCCNC(=O)CS(=O)C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1)NC(=O)CS(=O)C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 |r|
Show InChI InChI=1/C101H133N21O13S2/c1-61(123)92-100(133)119-82(45-62-21-6-4-7-22-62)93(126)107-39-17-14-30-79(112-54-70(113-89(125)60-137(135)58-66-44-75-73-28-19-33-78-91(73)69(53-111-78)50-87(75)122(3)56-66)25-13-16-38-106-88(124)59-136(134)57-65-43-74-72-27-18-32-77-90(72)68(52-110-77)49-86(74)121(2)55-65)94(127)114-81(34-20-40-108-101(103)104)95(128)116-83(46-63-23-8-5-9-24-63)97(130)117-84(47-64-35-41-105-42-36-64)98(131)118-85(48-67-51-109-76-29-11-10-26-71(67)76)99(132)115-80(96(129)120-92)31-12-15-37-102/h4-11,18-19,21-24,26-29,32-33,35-36,41-42,51-53,61,65-66,70,74-75,79-87,92,109-112,123H,12-17,20,25,30-31,34,37-40,43-50,54-60,102H2,1-3H3,(H,106,124)(H,107,126)(H,113,125)(H,114,127)(H,115,132)(H,116,128)(H,117,130)(H,118,131)(H,119,133)(H,120,129)(H4,103,104,108)/t61-,65-,66-,70+,74-,75-,79-,80+,81+,82+,83+,84+,85-,86-,87-,92+,136?,137?/s2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0800 -57.6n/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