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BDBM50032964 (R)-4-Amino-3-(4-chloro-phenyl)-butyric acid::4-Amino-3-(4-chloro-phenyl)-butyric acid::BACLOFEN::CHEMBL301742

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

InChI Key: InChIKey=KPYSYYIEGFHWSV-QMMMGPOBSA-N

Data: 3 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50032964   
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


(Homo sapiens (Human))
BDBM50032964
PNG
((R)-4-Amino-3-(4-chloro-phenyl)-butyric acid | 4-A...)
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-/m0/s1
PDB

KEGG

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CHEBI
CHEMBL
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PC sid
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PDB
Article
PubMed
n/an/a 15n/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
3D
3D Structure (crystal)
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50032964
PNG
((R)-4-Amino-3-(4-chloro-phenyl)-butyric acid | 4-A...)
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-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
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PC cid
PC sid
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PDB
Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...


J Med Chem 56: 2456-65 (2013)


Article DOI: 10.1021/jm301805e
BindingDB Entry DOI: 10.7270/Q25T3MTS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GABA-B receptor 1/2


(Rattus norvegicus (Rat))
BDBM50032964
PNG
((R)-4-Amino-3-(4-chloro-phenyl)-butyric acid | 4-A...)
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-/m0/s1
PDB

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CHEBI
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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
3D
3D Structure (crystal)
GABA-B receptor 1/2


(Rattus norvegicus (Rat))
BDBM50032964
PNG
((R)-4-Amino-3-(4-chloro-phenyl)-butyric acid | 4-A...)
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-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



CIBA-GEIGY AG

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGP-27,492 binding to Gamma-aminobutyric acid type B receptor of rat cortex


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
3D
3D Structure (crystal)