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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 1' and Ligand = 'BDBM50496021'   
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 1


(Homo sapiens (Human))		BDBM50496021
PNG
(CHEMBL3122129)
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](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COCCOCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r|
Show InChI InChI=1S/C85H120N20O23S2/c1-53(107)74-83(124)97-64(42-56-20-9-4-10-21-56)79(120)98-66(49-106)81(122)100-68(84(125)126)52-130-129-51-67(99-75(116)60(25-15-27-90-85(87)88)92-70(109)50-128-39-38-127-37-28-89-69(108)45-102-29-31-103(46-71(110)111)33-35-105(48-73(114)115)36-34-104(32-30-102)47-72(112)113)82(123)95-63(41-55-18-7-3-8-19-55)77(118)94-62(40-54-16-5-2-6-17-54)78(119)96-65(43-57-44-91-59-23-12-11-22-58(57)59)80(121)93-61(76(117)101-74)24-13-14-26-86/h2-12,16-23,44,53,60-68,74,91,106-107H,13-15,24-43,45-52,86H2,1H3,(H,89,108)(H,92,109)(H,93,121)(H,94,118)(H,95,123)(H,96,119)(H,97,124)(H,98,120)(H,99,116)(H,100,122)(H,101,117)(H,110,111)(H,112,113)(H,114,115)(H,125,126)(H4,87,88,90)/t53-,60+,61+,62+,63+,64+,65-,66+,67+,68+,74+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 171n/an/an/an/an/an/a



INRASTES

Curated by ChEMBL


Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST1 receptor expressed in CHO cells after 2 hrs by autoradiographic analysis

Eur J Med Chem 73: 30-7 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75
More data for this
Ligand-Target Pair