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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 = 'BDBM50352480'   
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))
BDBM50352480
PNG
(CHEMBL1824051)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc3ccccc3c2)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](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C78H105N17O19S2/c1-43(81)66(101)83-39-63(100)84-60-41-115-116-42-61(78(113)114)93-74(109)59(40-96)92-77(112)65(45(3)98)95-73(108)56(36-48-23-11-6-12-24-48)91-76(111)64(44(2)97)94-68(103)53(28-16-18-32-80)85-69(104)57(37-49-29-30-50-25-13-14-26-51(50)33-49)89-71(106)54(34-46-19-7-4-8-20-46)87-70(105)55(35-47-21-9-5-10-22-47)88-72(107)58(38-62(82)99)90-67(102)52(86-75(60)110)27-15-17-31-79/h4-14,19-26,29-30,33,43-45,52-61,64-65,96-98H,15-18,27-28,31-32,34-42,79-81H2,1-3H3,(H2,82,99)(H,83,101)(H,84,100)(H,85,104)(H,86,110)(H,87,105)(H,88,107)(H,89,106)(H,90,102)(H,91,111)(H,92,112)(H,93,109)(H,94,103)(H,95,108)(H,113,114)/t43-,44+,45+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 69n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of 125I-[LTT]-SRIF-28 from human sst5 receptor in HEK293 cells after 2 hrs by autoradiography


J Med Chem 54: 5981-7 (2011)


Article DOI: 10.1021/jm200307v
BindingDB Entry DOI: 10.7270/Q2BV7H1N
More data for this
Ligand-Target Pair