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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for monomerid = 86283   
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
Gamma-aminobutyric acid type B receptor subunit 1


(Homo sapiens (Human))
BDBM86283
PNG
(CAS_345-78-8 | CAS_39069-52-8 | GS 39783 | N,N'...)
Show SMILES CSc1nc(NC2CCCC2)c(c(NC2CCCC2)n1)[N+]([O-])=O
Show InChI InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)
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PC sid
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PubMed
n/an/an/an/a 79n/an/an/an/a



IntelliSyn Pharma

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human GABA-B 1b expressed in CHO cells co-expressing rat GABA-B2 assessed as potentiation of GABA-induced inhibitio...


Bioorg Med Chem Lett 27: 2239-2258 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.084
BindingDB Entry DOI: 10.7270/Q2VT1VJJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1/2


(Homo sapiens (Human))
BDBM86283
PNG
(CAS_345-78-8 | CAS_39069-52-8 | GS 39783 | N,N'...)
Show SMILES CSc1nc(NC2CCCC2)c(c(NC2CCCC2)n1)[N+]([O-])=O
Show InChI InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)
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KEGG

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antibodypedia
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MCE
PC cid
PC sid
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Article
PubMed
n/an/an/an/a 741n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Activity at GABAB 1b/2 receptor expressed in CHO-K1 cells assessed as effect on glutamate-induced [35S]GTP-gamma-S binding


Bioorg Med Chem Lett 17: 6206-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.023
BindingDB Entry DOI: 10.7270/Q2N300RD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)