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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 = 'BDBM50537062'   
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))		BDBM50537062
PNG
(CHEMBL4549303)
Show SMILES [H][C@@]12O[C@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C\C=C\[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)CCSSCCCN[C@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(=O)N[C@H](CO)[C@@H](C)O |r,t:17,19|
Show InChI InChI=1S/C87H118ClN13O20S4/c1-49-23-21-31-70(118-10)87(116)44-69(119-85(115)99-87)50(2)76-86(6,121-76)71(43-73(106)101(8)67-40-56(37-49)41-68(117-9)74(67)88)120-84(114)51(3)100(7)72(105)32-36-123-122-35-22-34-90-61(38-54-24-13-11-14-25-54)78(108)96-65-47-124-125-48-66(82(112)95-64(46-102)52(4)103)97-83(113)75(53(5)104)98-77(107)60(30-19-20-33-89)92-80(110)63(42-57-45-91-59-29-18-17-28-58(57)59)94-79(109)62(93-81(65)111)39-55-26-15-12-16-27-55/h11-18,21,23-29,31,40-41,45,50-53,60-66,69-71,75-76,90-91,102-104,116H,19-20,22,30,32-39,42-44,46-48,89H2,1-10H3,(H,92,110)(H,93,111)(H,94,109)(H,95,112)(H,96,108)(H,97,113)(H,98,107)(H,99,115)/b31-21+,49-23+/t50-,51+,52-,53-,60+,61-,62+,63-,64-,65+,66+,69+,70-,71+,75+,76+,86-,87+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
 0.120n/an/an/an/an/an/an/an/a



Tarveda Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin from human SSTR2 expressed in CHO-K1 cell membranes after 240 mins

J Med Chem 62: 2708-2719 (2019)


Article DOI: 10.1021/acs.jmedchem.8b02036
BindingDB Entry DOI: 10.7270/Q2NK3JJ9
More data for this
Ligand-Target Pair