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Compile Data Set for Download or QSAR

Found 349 hits with Last Name = 'woods' and Initial = 'm'   
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
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052754
PNG
(CHEMBL115740 | Diethyl-carbamic acid 5-phenyl-6-ox...)
Show SMILES CCN(CC)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C23H22N2O3/c1-3-24(4-2)23(26)28-22-19-14-10-16-25(19)18-13-8-9-15-20(18)27-21(22)17-11-6-5-7-12-17/h5-16H,3-4H2,1-2H3
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0.260n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052749
PNG
(CHEMBL325025 | Diethyl-carbamic acid 5-p-tolyl-6-o...)
Show SMILES CCN(CC)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc(C)cc1
Show InChI InChI=1S/C24H24N2O3/c1-4-25(5-2)24(27)29-23-20-10-8-16-26(20)19-9-6-7-11-21(19)28-22(23)18-14-12-17(3)13-15-18/h6-16H,4-5H2,1-3H3
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0.360n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052753
PNG
(CHEMBL325953 | Dimethyl-carbamic acid 7-chloro-5-p...)
Show SMILES CN(C)C(=O)OC1=C(Oc2c(Cl)cccc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C21H17ClN2O3/c1-23(2)21(25)27-20-17-12-7-13-24(17)16-11-6-10-15(22)19(16)26-18(20)14-8-4-3-5-9-14/h3-13H,1-2H3
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0.510n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052747
PNG
(CHEMBL117444 | Dimethyl-carbamic acid 5-p-tolyl-6-...)
Show SMILES CN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc(C)cc1
Show InChI InChI=1S/C22H20N2O3/c1-15-10-12-16(13-11-15)20-21(27-22(25)23(2)3)18-8-6-14-24(18)17-7-4-5-9-19(17)26-20/h4-14H,1-3H3
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0.520n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22032
PNG
(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
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0.780n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052751
PNG
(CHEMBL325169 | Dimethyl-carbamic acid 5-phenyl-6-o...)
Show SMILES CN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C21H18N2O3/c1-22(2)21(24)26-20-17-12-8-14-23(17)16-11-6-7-13-18(16)25-19(20)15-9-4-3-5-10-15/h3-14H,1-2H3
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0.800n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 5-4864 from rat adrenal peripheral-type benzodiazepine receptor (PBR)


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052744
PNG
(Acetic acid 5-p-tolyl-6-oxa-10b-aza-benzo[e]azulen...)
Show SMILES CC(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc(C)cc1
Show InChI InChI=1S/C21H17NO3/c1-14-9-11-16(12-10-14)20-21(24-15(2)23)18-7-5-13-22(18)17-6-3-4-8-19(17)25-20/h3-13H,1-2H3
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0.910n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052751
PNG
(CHEMBL325169 | Dimethyl-carbamic acid 5-phenyl-6-o...)
Show SMILES CN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C21H18N2O3/c1-22(2)21(24)26-20-17-12-8-14-23(17)16-11-6-7-13-18(16)25-19(20)15-9-4-3-5-10-15/h3-14H,1-2H3
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1n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement [3H]-PK 11195 from rat adrenal peripheral-type benzodiazepine receptor (PBR)


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052747
PNG
(CHEMBL117444 | Dimethyl-carbamic acid 5-p-tolyl-6-...)
Show SMILES CN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc(C)cc1
Show InChI InChI=1S/C22H20N2O3/c1-15-10-12-16(13-11-15)20-21(27-22(25)23(2)3)18-8-6-14-24(18)17-7-4-5-9-19(17)26-20/h4-14H,1-3H3
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement [3H]-PK 11195 from rat adrenal peripheral-type benzodiazepine receptor (PBR)


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052747
PNG
(CHEMBL117444 | Dimethyl-carbamic acid 5-p-tolyl-6-...)
Show SMILES CN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc(C)cc1
Show InChI InChI=1S/C22H20N2O3/c1-15-10-12-16(13-11-15)20-21(27-22(25)23(2)3)18-8-6-14-24(18)17-7-4-5-9-19(17)26-20/h4-14H,1-3H3
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1.30n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 5-4864 from rat adrenal peripheral-type benzodiazepine receptor (PBR)


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052750
PNG
(CHEMBL115470 | Dimethyl-carbamic acid 5-(4-azido-p...)
Show SMILES CN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C21H17N5O3/c1-25(2)21(27)29-20-17-7-5-13-26(17)16-6-3-4-8-18(16)28-19(20)14-9-11-15(12-10-14)23-24-22/h3-13H,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052757
PNG
(CHEMBL326302 | Diethyl-thiocarbamic acid 5-phenyl-...)
Show SMILES CCN(CC)C(=S)OC1=C(Oc2ccccc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C23H22N2O2S/c1-3-24(4-2)23(28)27-22-19-14-10-16-25(19)18-13-8-9-15-20(18)26-21(22)17-11-6-5-7-12-17/h5-16H,3-4H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052744
PNG
(Acetic acid 5-p-tolyl-6-oxa-10b-aza-benzo[e]azulen...)
Show SMILES CC(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc(C)cc1
Show InChI InChI=1S/C21H17NO3/c1-14-9-11-16(12-10-14)20-21(24-15(2)23)18-7-5-13-22(18)17-6-3-4-8-19(17)25-20/h3-13H,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 5-4864 from rat adrenal peripheral-type benzodiazepine receptor (PBR)


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052741
PNG
(CHEMBL325649 | Dimethyl-carbamic acid 5-naphthalen...)
Show SMILES CN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H20N2O3/c1-26(2)25(28)30-24-21-11-7-15-27(21)20-10-5-6-12-22(20)29-23(24)19-14-13-17-8-3-4-9-18(17)16-19/h3-16H,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 5-4864 from rat adrenal peripheral-type benzodiazepine receptor (PBR)


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50038256
PNG
(CHEMBL117589 | Dimethyl-carbamic acid 7-chloro-5-p...)
Show SMILES CN(C)C(=O)OC1=C(Sc2c(Cl)cccc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C21H17ClN2O2S/c1-23(2)21(25)26-18-16-12-7-13-24(16)17-11-6-10-15(22)20(17)27-19(18)14-8-4-3-5-9-14/h3-13H,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052749
PNG
(CHEMBL325025 | Diethyl-carbamic acid 5-p-tolyl-6-o...)
Show SMILES CCN(CC)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc(C)cc1
Show InChI InChI=1S/C24H24N2O3/c1-4-25(5-2)24(27)29-23-20-10-8-16-26(20)19-9-6-7-11-21(19)28-22(23)18-14-12-17(3)13-15-18/h6-16H,4-5H2,1-3H3
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1.90n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 5-4864 from rat adrenal peripheral-type benzodiazepine receptor (PBR)


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052749
PNG
(CHEMBL325025 | Diethyl-carbamic acid 5-p-tolyl-6-o...)
Show SMILES CCN(CC)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc(C)cc1
Show InChI InChI=1S/C24H24N2O3/c1-4-25(5-2)24(27)29-23-20-10-8-16-26(20)19-9-6-7-11-21(19)28-22(23)18-14-12-17(3)13-15-18/h6-16H,4-5H2,1-3H3
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1.90n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement [3H]-PK 11195 from rat adrenal peripheral-type benzodiazepine receptor (PBR)


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052741
PNG
(CHEMBL325649 | Dimethyl-carbamic acid 5-naphthalen...)
Show SMILES CN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H20N2O3/c1-26(2)25(28)30-24-21-11-7-15-27(21)20-10-5-6-12-22(20)29-23(24)19-14-13-17-8-3-4-9-18(17)16-19/h3-16H,1-2H3
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1.90n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement [3H]-PK 11195 from rat adrenal peripheral-type benzodiazepine receptor (PBR)


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052751
PNG
(CHEMBL325169 | Dimethyl-carbamic acid 5-phenyl-6-o...)
Show SMILES CN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C21H18N2O3/c1-22(2)21(24)26-20-17-12-8-14-23(17)16-11-6-7-13-18(16)25-19(20)15-9-4-3-5-10-15/h3-14H,1-2H3
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2n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052741
PNG
(CHEMBL325649 | Dimethyl-carbamic acid 5-naphthalen...)
Show SMILES CN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H20N2O3/c1-26(2)25(28)30-24-21-11-7-15-27(21)20-10-5-6-12-22(20)29-23(24)19-14-13-17-8-3-4-9-18(17)16-19/h3-16H,1-2H3
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2.40n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50038256
PNG
(CHEMBL117589 | Dimethyl-carbamic acid 7-chloro-5-p...)
Show SMILES CN(C)C(=O)OC1=C(Sc2c(Cl)cccc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C21H17ClN2O2S/c1-23(2)21(25)26-18-16-12-7-13-24(16)17-11-6-10-15(22)20(17)27-19(18)14-8-4-3-5-9-14/h3-13H,1-2H3
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2.5n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement [3H]-PK 11195 from rat adrenal peripheral-type benzodiazepine receptor (PBR)


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50038256
PNG
(CHEMBL117589 | Dimethyl-carbamic acid 7-chloro-5-p...)
Show SMILES CN(C)C(=O)OC1=C(Sc2c(Cl)cccc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C21H17ClN2O2S/c1-23(2)21(25)26-18-16-12-7-13-24(16)17-11-6-10-15(22)20(17)27-19(18)14-8-4-3-5-9-14/h3-13H,1-2H3
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2.60n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 5-4864 from rat adrenal peripheral-type benzodiazepine receptor (PBR)


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052744
PNG
(Acetic acid 5-p-tolyl-6-oxa-10b-aza-benzo[e]azulen...)
Show SMILES CC(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc(C)cc1
Show InChI InChI=1S/C21H17NO3/c1-14-9-11-16(12-10-14)20-21(24-15(2)23)18-7-5-13-22(18)17-6-3-4-8-19(17)25-20/h3-13H,1-2H3
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2.80n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement [3H]-PK 11195 from rat adrenal peripheral-type benzodiazepine receptor (PBR)


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50029750
PNG
(CHEMBL288551 | Dimethyl-carbamic acid 5-phenyl-6-t...)
Show SMILES CN(C)C(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C21H18N2O2S/c1-22(2)21(24)25-19-17-12-8-14-23(17)16-11-6-7-13-18(16)26-20(19)15-9-4-3-5-10-15/h3-14H,1-2H3
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3.5n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052750
PNG
(CHEMBL115470 | Dimethyl-carbamic acid 5-(4-azido-p...)
Show SMILES CN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C21H17N5O3/c1-25(2)21(27)29-20-17-7-5-13-26(17)16-6-3-4-8-18(16)28-19(20)14-9-11-15(12-10-14)23-24-22/h3-13H,1-2H3
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3.60n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 5-4864 from rat adrenal peripheral-type benzodiazepine receptor (PBR)


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052748
PNG
(Acetic acid 5-phenyl-6-oxa-10b-aza-benzo[e]azulen-...)
Show SMILES CC(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C20H15NO3/c1-14(22)23-20-17-11-7-13-21(17)16-10-5-6-12-18(16)24-19(20)15-8-3-2-4-9-15/h2-13H,1H3
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4.70n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052750
PNG
(CHEMBL115470 | Dimethyl-carbamic acid 5-(4-azido-p...)
Show SMILES CN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C21H17N5O3/c1-25(2)21(27)29-20-17-7-5-13-26(17)16-6-3-4-8-18(16)28-19(20)14-9-11-15(12-10-14)23-24-22/h3-13H,1-2H3
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4.80n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement [3H]-PK 11195 from rat adrenal peripheral-type benzodiazepine receptor (PBR)


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50041493
PNG
(Acetic acid 5-phenyl-6-thia-10b-aza-benzo[e]azulen...)
Show SMILES CC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C20H15NO2S/c1-14(22)23-19-17-11-7-13-21(17)16-10-5-6-12-18(16)24-20(19)15-8-3-2-4-9-15/h2-13H,1H3
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7.60n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50029755
PNG
(Acetic acid 5-(4-chloro-phenyl)-6-thia-10b-aza-ben...)
Show SMILES CC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H14ClNO2S/c1-13(23)24-19-17-6-4-12-22(17)16-5-2-3-7-18(16)25-20(19)14-8-10-15(21)11-9-14/h2-12H,1H3
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12n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052745
PNG
(CHEMBL114508 | Dimethyl-carbamic acid 5-phenyl-6-o...)
Show SMILES CN(C)C(=O)OC1=C(Oc2cc3ccccc3cc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C25H20N2O3/c1-26(2)25(28)30-24-20-13-8-14-27(20)21-15-18-11-6-7-12-19(18)16-22(21)29-23(24)17-9-4-3-5-10-17/h3-16H,1-2H3
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15n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052758
PNG
(1-(5-Phenyl-6-oxa-10b-aza-benzo[e]azulen-4-yl)-eth...)
Show SMILES CC(=O)C1=C(Oc2ccccc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C20H15NO2/c1-14(22)19-17-11-7-13-21(17)16-10-5-6-12-18(16)23-20(19)15-8-3-2-4-9-15/h2-13H,1H3
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25n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052742
PNG
(Acetic acid 5-naphthalen-2-yl-6-oxa-10b-aza-benzo[...)
Show SMILES CC(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H17NO3/c1-16(26)27-24-21-10-6-14-25(21)20-9-4-5-11-22(20)28-23(24)19-13-12-17-7-2-3-8-18(17)15-19/h2-15H,1H3
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30n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052759
PNG
(CHEMBL325471 | Cyclohexanecarboxylic acid 5-phenyl...)
Show SMILES O=C(OC1=C(Oc2ccccc2-n2cccc12)c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C25H23NO3/c27-25(19-12-5-2-6-13-19)29-24-21-15-9-17-26(21)20-14-7-8-16-22(20)28-23(24)18-10-3-1-4-11-18/h1,3-4,7-11,14-17,19H,2,5-6,12-13H2
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32n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50038254
PNG
(Acetic acid 8-methyl-5-phenyl-6-thia-10b-aza-benzo...)
Show SMILES CC(=O)OC1=C(Sc2cc(C)ccc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C21H17NO2S/c1-14-10-11-17-19(13-14)25-21(16-7-4-3-5-8-16)20(24-15(2)23)18-9-6-12-22(17)18/h3-13H,1-2H3
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44n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052743
PNG
(5-Phenyl-6-oxa-10b-aza-benzo[e]azulene-4-carboxyli...)
Show SMILES COC(=O)C1=C(Oc2ccccc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C20H15NO3/c1-23-20(22)18-16-11-7-13-21(16)15-10-5-6-12-17(15)24-19(18)14-8-3-2-4-9-14/h2-13H,1H3
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58n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052756
PNG
(Acetic acid 5-phenyl-6-oxa-12b-aza-naphtho[2,3-e]a...)
Show SMILES CC(=O)OC1=C(Oc2cc3ccccc3cc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C24H17NO3/c1-16(26)27-24-20-12-7-13-25(20)21-14-18-10-5-6-11-19(18)15-22(21)28-23(24)17-8-3-2-4-9-17/h2-15H,1H3
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108n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052752
PNG
(CHEMBL115704 | Dimethyl-carbamic acid 5-ethyl-6-ox...)
Show SMILES CCC1=C(OC(=O)N(C)C)c2cccn2-c2ccccc2O1
Show InChI InChI=1S/C17H18N2O3/c1-4-14-16(22-17(20)18(2)3)13-9-7-11-19(13)12-8-5-6-10-15(12)21-14/h5-11H,4H2,1-3H3
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230n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50156071
PNG
(3-Cyano-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide...)
Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)
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250n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from human mGluR5


Bioorg Med Chem Lett 20: 7381-4 (2010)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50038258
PNG
(Acetic acid 9-methyl-5-phenyl-6-thia-10b-aza-benzo...)
Show SMILES CC(=O)OC1=C(Sc2ccc(C)cc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C21H17NO2S/c1-14-10-11-19-18(13-14)22-12-6-9-17(22)20(24-15(2)23)21(25-19)16-7-4-3-5-8-16/h3-13H,1-2H3
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263n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052746
PNG
(Acetic acid 5-phenyl-6-oxa-10b-aza-benzo[e]azulen-...)
Show SMILES CC(=O)OCC1=C(Oc2ccccc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C21H17NO3/c1-15(23)24-14-17-18-11-7-13-22(18)19-10-5-6-12-20(19)25-21(17)16-8-3-2-4-9-16/h2-13H,14H2,1H3
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754n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50331975
PNG
(1-(4-(2-chloro-4-fluorophenyl)piperazin-1-yl)-2-(p...)
Show SMILES Fc1ccc(N2CCN(CC2)C(=O)COCc2ccncc2)c(Cl)c1
Show InChI InChI=1S/C18H19ClFN3O2/c19-16-11-15(20)1-2-17(16)22-7-9-23(10-8-22)18(24)13-25-12-14-3-5-21-6-4-14/h1-6,11H,7-10,12-13H2
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2.37E+3n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from human mGluR5


Bioorg Med Chem Lett 20: 7381-4 (2010)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052754
PNG
(CHEMBL115740 | Diethyl-carbamic acid 5-phenyl-6-ox...)
Show SMILES CCN(CC)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C23H22N2O3/c1-3-24(4-2)23(26)28-22-19-14-10-16-25(19)18-13-8-9-15-20(18)27-21(22)17-11-6-5-7-12-17/h5-16H,3-4H2,1-2H3
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n/an/a 0.680n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-PK 11195 to peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052749
PNG
(CHEMBL325025 | Diethyl-carbamic acid 5-p-tolyl-6-o...)
Show SMILES CCN(CC)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc(C)cc1
Show InChI InChI=1S/C24H24N2O3/c1-4-25(5-2)24(27)29-23-20-10-8-16-26(20)19-9-6-7-11-21(19)28-22(23)18-14-12-17(3)13-15-18/h6-16H,4-5H2,1-3H3
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n/an/a 0.940n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-PK 11195 to peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052753
PNG
(CHEMBL325953 | Dimethyl-carbamic acid 7-chloro-5-p...)
Show SMILES CN(C)C(=O)OC1=C(Oc2c(Cl)cccc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C21H17ClN2O3/c1-23(2)21(25)27-20-17-12-7-13-24(17)16-11-6-10-15(22)19(16)26-18(20)14-8-4-3-5-9-14/h3-13H,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-PK 11195 to peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052747
PNG
(CHEMBL117444 | Dimethyl-carbamic acid 5-p-tolyl-6-...)
Show SMILES CN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc(C)cc1
Show InChI InChI=1S/C22H20N2O3/c1-15-10-12-16(13-11-15)20-21(27-22(25)23(2)3)18-8-6-14-24(18)17-7-4-5-9-19(17)26-20/h4-14H,1-3H3
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n/an/a 1.30n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-PK 11195 to peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22032
PNG
(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
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n/an/a 2n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-PK 11195 to peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052744
PNG
(Acetic acid 5-p-tolyl-6-oxa-10b-aza-benzo[e]azulen...)
Show SMILES CC(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc(C)cc1
Show InChI InChI=1S/C21H17NO3/c1-14-9-11-16(12-10-14)20-21(24-15(2)23)18-7-5-13-22(18)17-6-3-4-8-19(17)25-20/h3-13H,1-2H3
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n/an/a 2.30n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-PK 11195 to peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052750
PNG
(CHEMBL115470 | Dimethyl-carbamic acid 5-(4-azido-p...)
Show SMILES CN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C21H17N5O3/c1-25(2)21(27)29-20-17-7-5-13-26(17)16-6-3-4-8-18(16)28-19(20)14-9-11-15(12-10-14)23-24-22/h3-13H,1-2H3
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n/an/a 3.60n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-PK 11195 to peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052757
PNG
(CHEMBL326302 | Diethyl-thiocarbamic acid 5-phenyl-...)
Show SMILES CCN(CC)C(=S)OC1=C(Oc2ccccc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C23H22N2O2S/c1-3-24(4-2)23(28)27-22-19-14-10-16-25(19)18-13-8-9-15-20(18)26-21(22)17-11-6-5-7-12-17/h5-16H,3-4H2,1-2H3
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n/an/a 3.80n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-PK 11195 to peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50038256
PNG
(CHEMBL117589 | Dimethyl-carbamic acid 7-chloro-5-p...)
Show SMILES CN(C)C(=O)OC1=C(Sc2c(Cl)cccc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C21H17ClN2O2S/c1-23(2)21(25)26-18-16-12-7-13-24(16)17-11-6-10-15(22)20(17)27-19(18)14-8-4-3-5-9-14/h3-13H,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-PK 11195 to peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate


J Med Chem 39: 3435-50 (1996)

More data for this
Ligand-Target Pair
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