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BDBM25878 5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H-1,4-benzodiazepin-2-one::CHEMBL13280::Flunitrazepam::[3H]Rohypnol::[3H]flunitrazepam

SMILES: CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O

InChI Key: InChIKey=PPTYJKAXVCCBDU-UHFFFAOYSA-N

Data: 32 KI  3 IC50  2 Kd

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 37 hits for monomerid = 25878   
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 receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
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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1.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity evaluated by ability to displace [3H]-Ro-15-1788 from recombinant human Gamma-aminobutyric acid A receptor alpha-2-beta-3-gamma-2 ex...


Citation and Details
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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1.37n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by PDSP Ki Database




Citation and Details
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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1.52n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
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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2.10n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity measured using LtK- cell membranes expressing Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2


J Med Chem 41: 2537-52 (1998)

More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
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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2.10n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-5-beta-3-gamma-2


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
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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2.20n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity measured using LtK- cell membranes expressing GABA alpha1-beta3-gamma2 receptor


J Med Chem 41: 2537-52 (1998)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
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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2.20n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
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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2.5n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
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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2.5n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity measured using LtK- cell membranes expressing GABA alpha2-beta3-gamma2 receptor


J Med Chem 41: 2537-52 (1998)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
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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3.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity evaluated by ability to displace [3H]Ro-151788 from recombinant human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2 expr...


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens-HUMAN)
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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4.5n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity measured using LtK- cell membranes expressing GABA alpha3-beta3-gamma2 receptor


J Med Chem 41: 2537-52 (1998)

More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens-HUMAN)
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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4.5n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-3-beta-3-gamma-2


Citation and Details
More data for this
Ligand-Target Pair
GABA


()
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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5n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GABA A Alpha2Beta1Gamma2


(Homo sapiens (Human))
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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5.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 43: 970-5 (1993)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
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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5.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
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
5.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 43: 970-5 (1993)

More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens-HUMAN)
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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5.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity evaluated by ability to displace [3H]Ro-151788 from recombinant human Gamma-aminobutyric acid A receptor alpha-3-beta-3-gamma-2 expr...


Citation and Details
More data for this
Ligand-Target Pair
GABA


()
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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6.10n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GABA


()
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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7.5n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GABA


()
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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8.80n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GABA


()
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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10n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
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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11.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 43: 970-5 (1993)

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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14.9n/an/an/an/an/an/an/an/a



Tokyo Dental College

Curated by PDSP Ki Database




Biochem Pharmacol 55: 209-14 (1998)

More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(HUMAN)
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
15.7n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 43: 970-5 (1993)

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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29n/an/an/an/an/an/an/an/a



Leiden University

Curated by PDSP Ki Database




Citation and Details
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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40.4n/an/an/an/an/an/an/an/a



Tokyo Dental College

Curated by PDSP Ki Database




Biochem Pharmacol 55: 209-14 (1998)

More data for this
Ligand-Target Pair
GABA receptor alpha-6/beta-3/gamma-2 subunit


(Homo sapiens-HUMAN)
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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>2.00E+3n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity measured using LtK- cell membranes expressing Gamma-aminobutyric-acid A receptor alpha6-beta3-gamma2


J Med Chem 41: 2537-52 (1998)

More data for this
Ligand-Target Pair
GABA receptor alpha-6/beta-3/gamma-2 subunit


(Homo sapiens-HUMAN)
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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>2.00E+3n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-6-beta-3-gamma-2


Citation and Details
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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3.14E+3n/an/an/an/an/an/an/an/a



Tokyo Dental College

Curated by PDSP Ki Database




Biochem Pharmacol 55: 209-14 (1998)

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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3.45E+3n/an/an/an/an/an/an/an/a



Tokyo Dental College

Curated by PDSP Ki Database




Biochem Pharmacol 55: 209-14 (1998)

More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(HUMAN)
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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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(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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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
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
MMDB

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



TBA

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]CCK-33 binding to guinea pig brain(cortex) cholecystokinin receptor


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
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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n/an/a 3.80E+9n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
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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n/an/an/a 4.5n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
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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n/an/an/a 3n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


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



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]CCK-33 binding to cholecystokinin A receptor from rat pancreatic tissue


Citation and Details
More data for this
Ligand-Target Pair