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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 3' and Ligand = 'BDBM50243524'   
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 3


(Homo sapiens (Human))		BDBM50243524
PNG
(2-(4-{[(2-{2-[2-(2-{[(1R)-1-{[(4R,7S,10S,13R,16S,1...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCOCCOCCOCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1 |r|
Show InChI InChI=1S/C84H113ClN18O21S2/c1-52(104)75-83(120)98-69(81(118)94-64(76(87)113)43-55-13-18-56-8-2-3-9-57(56)40-55)51-126-125-50-68(82(119)95-66(42-54-16-21-60(22-17-54)91-84(88)121)79(116)96-67(44-58-45-90-62-11-5-4-10-61(58)62)80(117)93-63(77(114)99-75)12-6-7-24-86)97-78(115)65(41-53-14-19-59(85)20-15-53)92-70(105)23-34-122-36-38-124-39-37-123-35-25-89-71(106)46-100-26-28-101(47-72(107)108)30-32-103(49-74(111)112)33-31-102(29-27-100)48-73(109)110/h2-5,8-11,13-22,40,45,52,63-69,75,90,104H,6-7,12,23-39,41-44,46-51,86H2,1H3,(H2,87,113)(H,89,106)(H,92,105)(H,93,117)(H,94,118)(H,95,119)(H,96,116)(H,97,115)(H,98,120)(H,99,114)(H,107,108)(H,109,110)(H,111,112)(H3,88,91,121)/t52-,63+,64+,65-,66+,67-,68-,69+,75+/m1/s1
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Similars
Article
PubMed
n/an/a 88n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Displacement of [125I][LTT]SRIF28 from human cloned sst3 receptor by autoradiography

J Med Chem 51: 4030-7 (2008)


Article DOI: 10.1021/jm701618q
BindingDB Entry DOI: 10.7270/Q22J6CSW
More data for this
Ligand-Target Pair