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Compile Data Set for Download or QSAR

Found 4 hits of ic50 data for polymerid = 50000462   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
4-aminobutyrate aminotransferase, mitochondrial


(Mus musculus)
BDBM50510591
PNG
(CHEMBL4521189)
Show SMILES Clc1ccc(C2SCC(=O)N2NC(=O)Nc2nc3ccc(Cl)cc3s2)c(Cl)c1
Show InChI InChI=1S/C17H11Cl3N4O2S2/c18-8-1-3-10(11(20)5-8)15-24(14(25)7-27-15)23-16(26)22-17-21-12-4-2-9(19)6-13(12)28-17/h1-6,15H,7H2,(H2,21,22,23,26)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.53E+4n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of GABA aminotransferase in mouse brain homogenates using GABA and alpha-ketoglutarate as substrates preincubated for 30 mins followed by ...


Bioorg Med Chem Lett 29: 1825-1830 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.007
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(Mus musculus)
BDBM50118886
PNG
(4-Amino-hex-5-enoic acid | CHEMBL89598 | US1018980...)
Show SMILES NC(CCC(O)=O)C=C
Show InChI InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.97E+4n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of GABA aminotransferase in mouse brain homogenates using GABA and alpha-ketoglutarate as substrates preincubated for 30 mins followed by ...


Bioorg Med Chem Lett 29: 1825-1830 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.007
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(Mus musculus)
BDBM50510593
PNG
(CHEMBL4569177)
Show SMILES ClC1C(N(NC(=O)Nc2nc3ccc(Cl)cc3s2)C1=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H10Cl4N4O2S/c18-7-1-3-9(10(20)5-7)14-13(21)15(26)25(14)24-16(27)23-17-22-11-4-2-8(19)6-12(11)28-17/h1-6,13-14H,(H2,22,23,24,27)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.14E+4n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of GABA aminotransferase in mouse brain homogenates using GABA and alpha-ketoglutarate as substrates preincubated for 30 mins followed by ...


Bioorg Med Chem Lett 29: 1825-1830 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.007
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(Mus musculus)
BDBM50510592
PNG
(CHEMBL4452708)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1SCC(=O)N1NC(=O)Nc1nc2ccc(Cl)cc2s1
Show InChI InChI=1S/C17H12ClN5O4S2/c18-10-3-6-12-13(7-10)29-17(19-12)20-16(25)21-22-14(24)8-28-15(22)9-1-4-11(5-2-9)23(26)27/h1-7,15H,8H2,(H2,19,20,21,25)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.81E+4n/an/an/an/an/an/a



Jouf University

Curated by ChEMBL


Assay Description
Inhibition of GABA aminotransferase in mouse brain homogenates using GABA and alpha-ketoglutarate as substrates preincubated for 30 mins followed by ...


Bioorg Med Chem Lett 29: 1825-1830 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.007
More data for this
Ligand-Target Pair