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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 = 'BDBM144737'   
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))
BDBM144737
PNG
(US8952128, 1)
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(F)cc2)NC1=O)NCCC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C78H101FN16O9/c1-47(96)69-77(104)93-63(41-50-30-32-54(79)33-31-50)70(97)84-35-14-12-26-60(83-36-16-22-51-38-57-56-24-15-28-59-68(56)53(45-87-59)43-67(57)95(2)46-51)71(98)88-62(29-17-37-85-78(81)82)72(99)90-64(39-48-18-5-3-6-19-48)74(101)91-65(40-49-20-7-4-8-21-49)75(102)92-66(42-52-44-86-58-25-10-9-23-55(52)58)76(103)89-61(73(100)94-69)27-11-13-34-80/h3-10,15,18-21,23-25,28,30-33,44-45,47,51,57,60-67,69,83,86-87,96H,11-14,16-17,22,26-27,29,34-43,46,80H2,1-2H3,(H,84,97)(H,88,98)(H,89,103)(H,90,99)(H,91,101)(H,92,102)(H,93,104)(H,94,100)(H4,81,82,85)/t47-,51-,57-,60-,61+,62+,63+,64+,65+,66-,67-,69+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.0400 -59.3n/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