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BDBM26263 Anexate::CHEMBL407::FLUMAZENIL::Ro15-1788::Romazicon::[3H]Ro15-1788::ethyl 12-fluoro-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,10,12-pentaene-5-carboxylate

SMILES: CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21

InChI Key: InChIKey=OFBIFZUFASYYRE-UHFFFAOYSA-N

Data: 72 KI  2 IC50  1 Kd  1 Other

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 78 hits for monomerid = 26263   
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
GABAA Receptor Mutant, alpha-1 (G157C), beta-2, gamma-2


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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PubMed
0.190n/an/an/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

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


(Homo sapiens (Human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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0.480n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)

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


(Homo sapiens (Human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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0.490n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)

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


(Rattus norvegicus (Rat))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for rat GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)

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


(Homo sapiens-Homo sapiens (Human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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0.600n/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


J Med Chem 43: 71-95 (2000)

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


(Homo sapiens-Homo sapiens (Human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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PubMed
0.600n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2


J Med Chem 41: 4130-42 (1998)

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


(Rattus norvegicus (Rat)-RAT)
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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0.600n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for rat GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)

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


(HUMAN)
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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0.620n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)

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


(HUMAN)
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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0.720n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)

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


(Homo sapiens (Human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity against alpha1-beta3-gamma2 GABAA/BzR receptor subtype.


J Med Chem 41: 4130-42 (1998)

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


(Homo sapiens (Human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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0.800n/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


J Med Chem 43: 71-95 (2000)

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


(RAT)
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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0.810n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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0.870n/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-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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0.900n/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


J Med Chem 43: 71-95 (2000)

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


(Homo sapiens-Homo sapiens (Human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity of the compound tested against alpha2-beta3-gamma2 GABAA/BzR receptor subtype.


J Med Chem 41: 4130-42 (1998)

More data for this
Ligand-Target Pair
GABA A Alpha2Beta1Gamma2


(Homo sapiens (Human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)

More data for this
Ligand-Target Pair
GABA


()
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 1154-60 (1991)

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


(Homo sapiens-HUMAN)
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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1.10n/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-3-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)

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


(Homo sapiens-HUMAN)
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity against alpha3-beta3-gamma2 GABAA/BzR receptor subtype.


J Med Chem 41: 4130-42 (1998)

More data for this
Ligand-Target Pair
GABA A Alpha2Beta1Gamma2


(Homo sapiens (Human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)

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


(RAT)
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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1.39n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)

More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1 (V202C), beta-2, gamma-2


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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PubMed
1.5n/an/an/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

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


(RAT)
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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1.52n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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1.52n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)

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


(RAT)
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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1.79n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)

More data for this
Ligand-Target Pair
GABA


()
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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1.90n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 1154-60 (1991)

More data for this
Ligand-Target Pair
GABA


()
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 1154-60 (1991)

More data for this
Ligand-Target Pair
GABAA Receptor, alpha-5, beta-2, gamma-2


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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PubMed
2 -11.7n/an/an/an/an/a7.422



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1 (T206C), beta-2, gamma-2


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1 (T162C), beta-2, gamma-2


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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2.20n/an/an/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

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


(Homo sapiens (Human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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2.90n/an/an/an/an/an/an/an/a



University Clinic for Psychiatry

Curated by PDSP Ki Database




Eur J Pharmacol 304: 155-62 (1996)

More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1 (G200C), beta-2, gamma-2


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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3n/an/an/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (D56C)


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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3.10n/an/an/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

More data for this
Ligand-Target Pair
GABAA Receptor, alpha-1, beta-2, gamma-2


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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PubMed
3.30 -11.4n/an/an/an/an/a7.422



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (R185C)


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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3.30n/an/an/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (R144C)


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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3.70n/an/an/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (L140C)


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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3.80n/an/an/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1 (A160C), beta-2, gamma-2


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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4n/an/an/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1 (V211C), beta-2, gamma-2


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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4.10n/an/an/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (R194C)


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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4.10n/an/an/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (T81C)


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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4.40n/an/an/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (T126C)


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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4.40n/an/an/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

More data for this
Ligand-Target Pair
GABAA Receptor, alpha-2, beta-2, gamma-2


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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PubMed
5.70 -11.1n/an/an/an/an/a7.422



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1 (S205C), beta-2, gamma-2


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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PubMed
6.5n/an/an/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

More data for this
Ligand-Target Pair
GABAA Receptor, alpha-3, beta-2, gamma-2


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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PubMed
8.10 -10.9n/an/an/an/an/a7.422



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1 (S204C), beta-2, gamma-2


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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8.80n/an/an/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (T142C)


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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9.20n/an/an/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (A79C)


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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9.20n/an/an/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (Chimera)


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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9.60n/an/an/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (R132C)


(Homo sapiens (human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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13n/an/an/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)

More data for this
Ligand-Target Pair
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