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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 4' and Ligand = 'BDBM50068039'   
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))
BDBM50068039
PNG
(1-{3-[(5-Bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)...)
Show SMILES Clc1ccc(CN(CCCNC(=S)NCCCc2cnc[nH]2)c2ccc(Br)cn2)cc1Cl
Show InChI InChI=1S/C22H25BrCl2N6S/c23-17-5-7-21(29-12-17)31(14-16-4-6-19(24)20(25)11-16)10-2-9-28-22(32)27-8-1-3-18-13-26-15-30-18/h4-7,11-13,15H,1-3,8-10,14H2,(H,26,30)(H2,27,28,32)
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6n/an/an/an/an/an/an/an/a



Northeast Louisiana University

Curated by ChEMBL


Assay Description
In vitro binding affinity at somatostatin receptor 4 in transfected BHK cells using [125 I]Tyr11-SRIF-14 as radioligand


J Med Chem 41: 4693-705 (1998)


Article DOI: 10.1021/jm980118e
BindingDB Entry DOI: 10.7270/Q2TT4RNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50068039
PNG
(1-{3-[(5-Bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)...)
Show SMILES Clc1ccc(CN(CCCNC(=S)NCCCc2cnc[nH]2)c2ccc(Br)cn2)cc1Cl
Show InChI InChI=1S/C22H25BrCl2N6S/c23-17-5-7-21(29-12-17)31(14-16-4-6-19(24)20(25)11-16)10-2-9-28-22(32)27-8-1-3-18-13-26-15-30-18/h4-7,11-13,15H,1-3,8-10,14H2,(H,26,30)(H2,27,28,32)
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6n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cells expressing cloned human SRIF receptor (sst-4) subtype


J Med Chem 44: 2990-3000 (2001)


BindingDB Entry DOI: 10.7270/Q2DB82JT
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50068039
PNG
(1-{3-[(5-Bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)...)
Show SMILES Clc1ccc(CN(CCCNC(=S)NCCCc2cnc[nH]2)c2ccc(Br)cn2)cc1Cl
Show InChI InChI=1S/C22H25BrCl2N6S/c23-17-5-7-21(29-12-17)31(14-16-4-6-19(24)20(25)11-16)10-2-9-28-22(32)27-8-1-3-18-13-26-15-30-18/h4-7,11-13,15H,1-3,8-10,14H2,(H,26,30)(H2,27,28,32)
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Article
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17n/an/an/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human SST4 receptor


Medchemcomm 3: 56-60 (2012)


Article DOI: 10.1039/c1md00200g
BindingDB Entry DOI: 10.7270/Q2XP77XJ
More data for this
Ligand-Target Pair