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Compile Data Set for Download or QSAR

Found 946 hits with Last Name = 'garofalo' and Initial = 'a'   
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 |t:8|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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 |t:8|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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 |t:6|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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 |t:6|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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 |t:6|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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 |t:4|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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 |t:6|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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 |t:6|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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 |t:6|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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-] |t:6|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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 |t:8|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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 |t:4|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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 |t:6|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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 |t:6|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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 |t:8|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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 |t:6|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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 |t:8|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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 |t:6|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50066910
PNG
((+/-)7-Chloro-9-(4-methyl-piperazin-1-yl)-9,10-dih...)
Show SMILES CN1CCN(CC1)C1Cn2cccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H20ClN3S/c1-19-7-9-20(10-8-19)15-12-21-6-2-3-17(21)22-16-5-4-13(18)11-14(15)16/h2-6,11,15H,7-10,12H2,1H3
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2.10n/an/an/an/an/an/an/an/a



Universita' di Siena

Curated by ChEMBL


Assay Description
Binding affinity which represents concentration giving half-maximal inhibition of [3H]spiperone (Dopamine receptor D2) binding to rat tissue homogena...


J Med Chem 41: 3763-72 (1998)


Article DOI: 10.1021/jm9706832
BindingDB Entry DOI: 10.7270/Q2JH3MVJ
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 |t:6|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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 |t:6|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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 |t:6|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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 |t:4|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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 |t:6|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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-] |t:6|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50066910
PNG
((+/-)7-Chloro-9-(4-methyl-piperazin-1-yl)-9,10-dih...)
Show SMILES CN1CCN(CC1)C1Cn2cccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H20ClN3S/c1-19-7-9-20(10-8-19)15-12-21-6-2-3-17(21)22-16-5-4-13(18)11-14(15)16/h2-6,11,15H,7-10,12H2,1H3
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3.80n/an/an/an/an/an/an/an/a



Universita' di Siena

Curated by ChEMBL


Assay Description
Binding affinity which represents concentration giving half-maximal inhibition of [3H]spiperone (Dopamine receptor D2) binding to rat tissue homogena...


J Med Chem 41: 3763-72 (1998)


Article DOI: 10.1021/jm9706832
BindingDB Entry DOI: 10.7270/Q2JH3MVJ
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50066910
PNG
((+/-)7-Chloro-9-(4-methyl-piperazin-1-yl)-9,10-dih...)
Show SMILES CN1CCN(CC1)C1Cn2cccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H20ClN3S/c1-19-7-9-20(10-8-19)15-12-21-6-2-3-17(21)22-16-5-4-13(18)11-14(15)16/h2-6,11,15H,7-10,12H2,1H3
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4.10n/an/an/an/an/an/an/an/a



Universita' di Siena

Curated by ChEMBL


Assay Description
Binding affinity which represents concentration giving half-maximal inhibition of [3H]7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogen...


J Med Chem 41: 3763-72 (1998)


Article DOI: 10.1021/jm9706832
BindingDB Entry DOI: 10.7270/Q2JH3MVJ
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 |t:4|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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-] |t:6|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
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 |t:4|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50029426
PNG
(CHEMBL24675 | [2-(3,4-Dimethoxy-phenyl)-ethyl]-[4-...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)CCc3ccc(OC)c(OC)c3)ccc12
Show InChI InChI=1S/C30H32N2O3S/c1-31(18-17-21-9-16-27(34-3)28(19-21)35-4)20-23-12-15-26-30(22-10-13-24(33-2)14-11-22)36-29-8-6-5-7-25(29)32(23)26/h5-16,19,30H,17-18,20H2,1-4H3
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8.30n/an/an/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Calcium antagonistic activity by measuring [3H]-nitrendipine displacement from rat heart L-type [Ca2+] channel


J Med Chem 38: 4393-410 (1995)


BindingDB Entry DOI: 10.7270/Q24M93JW
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102271
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(4-oxo-4H-5,9,9b-tri...)
Show SMILES Brc1ccc(NC(=S)NCCn2c3cccnc3n3cccc3c2=O)nc1
Show InChI InChI=1S/C18H15BrN6OS/c19-12-5-6-15(22-11-12)23-18(27)21-8-10-25-13-3-1-7-20-16(13)24-9-2-4-14(24)17(25)26/h1-7,9,11H,8,10H2,(H2,21,22,23,27)
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9n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 wild-type RT


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102265
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(6-fluoro-4-oxo-4H-p...)
Show SMILES Fc1cccc2c1n(CCNC(=S)Nc1ccc(Br)cn1)c(=O)c1cccn21
Show InChI InChI=1S/C19H15BrFN5OS/c20-12-6-7-16(23-11-12)24-19(28)22-8-10-26-17-13(21)3-1-4-14(17)25-9-2-5-15(25)18(26)27/h1-7,9,11H,8,10H2,(H2,22,23,24,28)
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9n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 wild-type RT


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50052309
PNG
(Acetic acid (4R,5R)-7-chloro-1-dimethylaminomethyl...)
Show SMILES COc1ccc(cc1)[C@H]1Sc2c(Cl)cccc2-n2c(CN(C)C)ccc2[C@H]1OC(C)=O
Show InChI InChI=1S/C24H25ClN2O3S/c1-15(28)30-22-20-13-10-17(14-26(2)3)27(20)21-7-5-6-19(25)24(21)31-23(22)16-8-11-18(29-4)12-9-16/h5-13,22-23H,14H2,1-4H3/t22-,23-/m1/s1
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10n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


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


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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11n/an/an/an/an/an/an/an/a



Universita' di Siena

Curated by ChEMBL


Assay Description
Binding affinity which represents concentration giving half-maximal inhibition of [3H]7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogen...


J Med Chem 41: 3763-72 (1998)


Article DOI: 10.1021/jm9706832
BindingDB Entry DOI: 10.7270/Q2JH3MVJ
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 |t:4|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102268
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(5-oxo-pyrazolo[1,5-...)
Show SMILES Brc1ccc(NC(=S)NCCn2c3ccccc3c3ccnn3c2=O)nc1
Show InChI InChI=1S/C18H15BrN6OS/c19-12-5-6-16(21-11-12)23-17(27)20-9-10-24-14-4-2-1-3-13(14)15-7-8-22-25(15)18(24)26/h1-8,11H,9-10H2,(H2,20,21,23,27)
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15n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 wild-type RT


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102265
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(6-fluoro-4-oxo-4H-p...)
Show SMILES Fc1cccc2c1n(CCNC(=S)Nc1ccc(Br)cn1)c(=O)c1cccn21
Show InChI InChI=1S/C19H15BrFN5OS/c20-12-6-7-16(23-11-12)24-19(28)22-8-10-26-17-13(21)3-1-4-14(17)25-9-2-5-15(25)18(26)27/h1-7,9,11H,8,10H2,(H2,22,23,24,28)
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15n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution V106A


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
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 |t:6|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50066910
PNG
((+/-)7-Chloro-9-(4-methyl-piperazin-1-yl)-9,10-dih...)
Show SMILES CN1CCN(CC1)C1Cn2cccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H20ClN3S/c1-19-7-9-20(10-8-19)15-12-21-6-2-3-17(21)22-16-5-4-13(18)11-14(15)16/h2-6,11,15H,7-10,12H2,1H3
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16n/an/an/an/an/an/an/an/a



Universita' di Siena

Curated by ChEMBL


Assay Description
Binding affinity which represents concentration giving half-maximal inhibition of [3H]SCH-23390 (Dopamine receptor D1) binding to rat tissue homogena...


J Med Chem 41: 3763-72 (1998)


Article DOI: 10.1021/jm9706832
BindingDB Entry DOI: 10.7270/Q2JH3MVJ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102276
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7-chloro-4-oxo-4H-p...)
Show SMILES Clc1ccc2c(c1)n(CCNC(=S)Nc1ccc(Br)cn1)c(=O)c1cccn21
Show InChI InChI=1S/C19H15BrClN5OS/c20-12-3-6-17(23-11-12)24-19(28)22-7-9-26-16-10-13(21)4-5-14(16)25-8-1-2-15(25)18(26)27/h1-6,8,10-11H,7,9H2,(H2,22,23,24,28)
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20n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 wild-type RT


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102276
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7-chloro-4-oxo-4H-p...)
Show SMILES Clc1ccc2c(c1)n(CCNC(=S)Nc1ccc(Br)cn1)c(=O)c1cccn21
Show InChI InChI=1S/C19H15BrClN5OS/c20-12-3-6-17(23-11-12)24-19(28)22-7-9-26-16-10-13(21)4-5-14(16)25-8-1-2-15(25)18(26)27/h1-6,8,10-11H,7,9H2,(H2,22,23,24,28)
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20n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution V106A


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102268
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(5-oxo-pyrazolo[1,5-...)
Show SMILES Brc1ccc(NC(=S)NCCn2c3ccccc3c3ccnn3c2=O)nc1
Show InChI InChI=1S/C18H15BrN6OS/c19-12-5-6-16(21-11-12)23-17(27)20-9-10-24-14-4-2-1-3-13(14)15-7-8-22-25(15)18(24)26/h1-8,11H,9-10H2,(H2,20,21,23,27)
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21n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution K103N


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102277
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7,9-difluoro-4-oxo-...)
Show SMILES Fc1cc(F)c2c(c1)n(CCNC(=S)Nc1ccc(Br)cn1)c(=O)c1cccn21
Show InChI InChI=1S/C19H14BrF2N5OS/c20-11-3-4-16(24-10-11)25-19(29)23-5-7-27-15-9-12(21)8-13(22)17(15)26-6-1-2-14(26)18(27)28/h1-4,6,8-10H,5,7H2,(H2,23,24,25,29)
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22n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 wild-type RT


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50066910
PNG
((+/-)7-Chloro-9-(4-methyl-piperazin-1-yl)-9,10-dih...)
Show SMILES CN1CCN(CC1)C1Cn2cccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H20ClN3S/c1-19-7-9-20(10-8-19)15-12-21-6-2-3-17(21)22-16-5-4-13(18)11-14(15)16/h2-6,11,15H,7-10,12H2,1H3
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22n/an/an/an/an/an/an/an/a



Universita' di Siena

Curated by ChEMBL


Assay Description
Binding affinity which represents concentration giving half-maximal inhibition of [3H]SCH-23390 (Dopamine receptor D1) binding to rat tissue homogena...


J Med Chem 41: 3763-72 (1998)


Article DOI: 10.1021/jm9706832
BindingDB Entry DOI: 10.7270/Q2JH3MVJ
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 |t:3|
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)


Article DOI: 10.1021/jm960251b
BindingDB Entry DOI: 10.7270/Q23B60SK
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50029415
PNG
((6-Chloro-4,4-diphenyl-4H-benzo[b]pyrrolo[1,2-d][1...)
Show SMILES CN(C)Cc1ccc2n1-c1cccc(Cl)c1SC2(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H23ClN2S/c1-28(2)18-21-16-17-24-26(19-10-5-3-6-11-19,20-12-7-4-8-13-20)30-25-22(27)14-9-15-23(25)29(21)24/h3-17H,18H2,1-2H3
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26n/an/an/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Calcium antagonistic activity by measuring [3H]-nitrendipine displacement from rat heart L-type [Ca2+] channel


J Med Chem 38: 4393-410 (1995)


BindingDB Entry DOI: 10.7270/Q24M93JW
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102273
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(6-fluoro-pyrrolo[1,...)
Show SMILES Fc1cccc2c1nc(OCCNC(=S)Nc1ccc(Br)cn1)c1cccn21
Show InChI InChI=1S/C19H15BrFN5OS/c20-12-6-7-16(23-11-12)24-19(28)22-8-10-27-18-15-5-2-9-26(15)14-4-1-3-13(21)17(14)25-18/h1-7,9,11H,8,10H2,(H2,22,23,24,28)
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29n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution V106A


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102266
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7-fluoro-4-oxo-4H-p...)
Show SMILES Fc1ccc2c(c1)n(CCNC(=S)Nc1ccc(Br)cn1)c(=O)c1cccn21
Show InChI InChI=1S/C19H15BrFN5OS/c20-12-3-6-17(23-11-12)24-19(28)22-7-9-26-16-10-13(21)4-5-14(16)25-8-1-2-15(25)18(26)27/h1-6,8,10-11H,7,9H2,(H2,22,23,24,28)
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29n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 wild-type RT


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
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