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BDBM50032963 (S)-4-Amino-3-(4-chloro-phenyl)-butyric acid::BACLOFEN::CHEMBL302213

SMILES: NC[C@@H](CC(O)=O)c1ccc(Cl)cc1

InChI Key: InChIKey=KPYSYYIEGFHWSV-MRVPVSSYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50032963   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GABA-B receptor 1/2


(Rattus norvegicus (Rat))
BDBM50032963
PNG
((S)-4-Amino-3-(4-chloro-phenyl)-butyric acid | BAC...)
Show SMILES NC[C@@H](CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>140n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]-GABA from Gamma-aminobutyric acid type B receptor


J Med Chem 42: 2053-9 (1999)


Article DOI: 10.1021/jm990076+
BindingDB Entry DOI: 10.7270/Q2WW7GV9
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50032963
PNG
((S)-4-Amino-3-(4-chloro-phenyl)-butyric acid | BAC...)
Show SMILES NC[C@@H](CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.77E+3n/an/an/an/an/an/a



CIBA-GEIGY AG

Curated by ChEMBL


Assay Description
Inhibition of [3H]-baclofen binding to Gamma-aminobutyric acid type B receptor of cat cerebellum


J Med Chem 38: 3297-312 (1995)


Article DOI: 10.1021/jm00017a015
BindingDB Entry DOI: 10.7270/Q2N58KDP
More data for this
Ligand-Target Pair