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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 4' and Ligand = 'BDBM50100728'   
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 4


(Homo sapiens (Human))		BDBM50100728
PNG
(CHEMBL409100 | Des-Asn5-[DTrp8]-SRIF)
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](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)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
Show InChI InChI=1S/C72H98N16O17S2/c1-40(75)61(93)77-36-58(92)78-56-38-106-107-39-57(72(104)105)86-68(100)55(37-89)85-71(103)60(42(3)91)88-67(99)53(33-45-23-11-6-12-24-45)84-70(102)59(41(2)90)87-63(95)50(28-16-18-30-74)79-66(98)54(34-46-35-76-48-26-14-13-25-47(46)48)83-65(97)52(32-44-21-9-5-10-22-44)82-64(96)51(31-43-19-7-4-8-20-43)81-62(94)49(80-69(56)101)27-15-17-29-73/h4-14,19-26,35,40-42,49-57,59-60,76,89-91H,15-18,27-34,36-39,73-75H2,1-3H3,(H,77,93)(H,78,92)(H,79,98)(H,80,101)(H,81,94)(H,82,96)(H,83,97)(H,84,102)(H,85,103)(H,86,100)(H,87,95)(H,88,99)(H,104,105)/t40-,41+,42+,49+,50+,51-,52+,53+,54-,55+,56+,57+,59-,60-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC sid
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Similars
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Tested for ability to bind to 20 microM thick cryostat sections of a membrane pellet of cells transfected with human cloned somatostatin (sst) recept...

J Med Chem 44: 2238-46 (2001)


BindingDB Entry DOI: 10.7270/Q21R6PSC
More data for this
Ligand-Target Pair