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PubMed code 8930187

Compile data set for download or QSAR
Found 5 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
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM21363
PNG
(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Show SMILES Cc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-n12
Show InChI InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
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26n/an/an/an/an/an/an/an/a



Leiden University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 279: 803-12 (1996)


BindingDB Entry DOI: 10.7270/Q29P305P
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM50019213
PNG
(1,3-dihydro-7-nitro-5-(2-chlorophenyl)-2H-1,4.benz...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1
Show InChI InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
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27n/an/an/an/an/an/an/an/a



Leiden University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 279: 803-12 (1996)


BindingDB Entry DOI: 10.7270/Q29P305P
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM25878
PNG
(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O
Show InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
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PubMed
29n/an/an/an/an/an/an/an/a



Leiden University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 279: 803-12 (1996)


BindingDB Entry DOI: 10.7270/Q29P305P
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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PubMed
53n/an/an/an/an/an/an/an/a



Leiden University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 279: 803-12 (1996)


BindingDB Entry DOI: 10.7270/Q29P305P
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM85031
PNG
(CAS_604-75-1 | NSC_4616 | Oxazepam)
Show SMILES OC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O
Show InChI InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
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PubMed
350n/an/an/an/an/an/an/an/a



Leiden University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 279: 803-12 (1996)


BindingDB Entry DOI: 10.7270/Q29P305P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%