BindingDB logo
myBDB logout

PubMed code 1849996

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM24182
PNG
(4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...)
Show SMILES NCC(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)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
n/an/a 420n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50009131
PNG
(4-Amino-3-(2,4-dichloro-phenyl)-butyric acid; hydr...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C10H11Cl2NO2/c11-7-1-2-8(9(12)4-7)6(5-13)3-10(14)15/h1-2,4,6H,3,5,13H2,(H,14,15)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor


Citation and Details
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50009136
PNG
((7-Aminomethyl-bicyclo[4.2.0]octa-1(6),2,4-trien-7...)
Show SMILES NCC1(CC(O)=O)Cc2ccccc12
Show InChI InChI=1S/C11H13NO2/c12-7-11(6-10(13)14)5-8-3-1-2-4-9(8)11/h1-4H,5-7,12H2,(H,13,14)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor


Citation and Details
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50009132
PNG
((1-Aminomethyl-1,2,3,4-tetrahydro-naphthalen-1-yl)...)
Show SMILES NCC1(CC(O)=O)CCCc2ccccc12
Show InChI InChI=1S/C13H17NO2/c14-9-13(8-12(15)16)7-3-5-10-4-1-2-6-11(10)13/h1-2,4,6H,3,5,7-9,14H2,(H,15,16)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor


Citation and Details
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50009134
PNG
((1-Aminomethyl-indan-1-yl)-acetic acid; hydrochlor...)
Show SMILES NCC1(CC(O)=O)CCc2ccccc12
Show InChI InChI=1S/C12H15NO2/c13-8-12(7-11(14)15)6-5-9-3-1-2-4-10(9)12/h1-4H,5-8,13H2,(H,14,15)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor


Citation and Details
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50009133
PNG
(4-Amino-3-(2,6-dichloro-phenyl)-butyric acid; hydr...)
Show SMILES NCC(CC(O)=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C10H11Cl2NO2/c11-7-2-1-3-8(12)10(7)6(5-13)4-9(14)15/h1-3,6H,4-5,13H2,(H,14,15)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor


Citation and Details
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50009135
PNG
((1-Aminomethyl-5-chloro-indan-1-yl)-acetic acid; h...)
Show SMILES NCC1(CC(O)=O)CCc2cc(Cl)ccc12
Show InChI InChI=1S/C12H14ClNO2/c13-9-1-2-10-8(5-9)3-4-12(10,7-14)6-11(15)16/h1-2,5H,3-4,6-7,14H2,(H,15,16)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%