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Target
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Compile Data Set for Download or QSAR
Found
3
hits Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid type B receptor subunit 1' and Ligand = 'BDBM22032'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
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°C
Gamma-aminobutyric acid type B receptor subunit 1
(Rattus norvegicus (Rat))
BDBM22032
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES
CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI
InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
PDB
UniProtKB/SwissProt
GoogleScholar
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Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
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PubMed
1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Georgetown University
Curated by
PDSP K
i
Database
J Pharmacol Exp Ther
256:
1154
-
60
(1991)
BindingDB Entry DOI:
10.7270/Q2125R4D
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1
(Rattus norvegicus (Rat))
BDBM22032
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES
CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI
InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
PubMed
1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Georgetown University
Curated by
PDSP K
i
Database
J Pharmacol Exp Ther
256:
1154
-
60
(1991)
BindingDB Entry DOI:
10.7270/Q2125R4D
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1
(Rattus norvegicus (Rat))
BDBM22032
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES
CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI
InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
PubMed
1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Georgetown University
Curated by
PDSP K
i
Database
J Pharmacol Exp Ther
256:
1154
-
60
(1991)
BindingDB Entry DOI:
10.7270/Q2125R4D
More data for this
Ligand-Target Pair
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