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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 5' and Ligand = 'BDBM50495074'   
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 5


(Homo sapiens (Human))		BDBM50495074
PNG
(CHEMBL3098601)
Show SMILES [H][C@]1(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](C\C=C/C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(N)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r,c:73|
Show InChI InChI=1S/C78H107N19O18/c1-43(81)67(104)85-41-63(102)86-53-30-16-15-29-52(66(83)103)87-76(113)61(42-98)95-78(115)65(45(3)100)97-75(112)58(37-48-25-11-6-12-26-48)94-77(114)64(44(2)99)96-70(107)55(32-18-20-34-80)89-73(110)59(38-49-40-84-51-28-14-13-27-50(49)51)92-72(109)57(36-47-23-9-5-10-24-47)90-71(108)56(35-46-21-7-4-8-22-46)91-74(111)60(39-62(82)101)93-69(106)54(88-68(53)105)31-17-19-33-79/h4-16,21-28,40,43-45,52-61,64-65,84,98-100H,17-20,29-39,41-42,79-81H2,1-3H3,(H2,82,101)(H2,83,103)(H,85,104)(H,86,102)(H,87,113)(H,88,105)(H,89,110)(H,90,108)(H,91,111)(H,92,109)(H,93,106)(H,94,114)(H,95,115)(H,96,107)(H,97,112)/b16-15-/t43-,44+,45+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
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KEGG
PC cid
PC sid
UniChem
Article
PubMed
 0.200n/an/an/an/an/an/an/an/a



Institute for Research in Biomedicine (IRB Barcelona)

Curated by ChEMBL


Assay Description
Displacement of [125I]-somatostatin from human SSTR5 expressed in CHO-K1 cells

Bioorg Med Chem Lett 24: 103-7 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.065
BindingDB Entry DOI: 10.7270/Q24X5BR2
More data for this
Ligand-Target Pair