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Compile Data Set for Download or QSAR

Found 599 hits with Last Name = 'morelli' and Initial = 'e'   
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))
BDBM50118528
PNG
(CHEMBL135514 | Ethyl-carbamic acid 5-phenyl-6-oxa-...)
Show SMILES CCNC(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccccc1 |t:6|
Show InChI InChI=1S/C21H18N2O3/c1-2-22-21(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,2H2,1H3,(H,22,24)
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0.100n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro-5-4864 binding to mitochondrial rat testis Peripheral type benzodiazepine receptor (PBR)


J Med Chem 45: 4276-81 (2002)


BindingDB Entry DOI: 10.7270/Q20Z72MT
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50118528
PNG
(CHEMBL135514 | Ethyl-carbamic acid 5-phenyl-6-oxa-...)
Show SMILES CCNC(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccccc1 |t:6|
Show InChI InChI=1S/C21H18N2O3/c1-2-22-21(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,2H2,1H3,(H,22,24)
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0.110n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PK11195 binding to Peripheral type benzodiazepine receptor (PBR) in rat cortex homogenate by 50%


J Med Chem 45: 4276-81 (2002)


BindingDB Entry DOI: 10.7270/Q20Z72MT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007568
PNG
(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 2A receptor in rat tissue homogenate using [3H]ketanserin as radioligand


J Med Chem 47: 143-57 (2003)


Article DOI: 10.1021/jm0309811
BindingDB Entry DOI: 10.7270/Q2VM4CRH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50118537
PNG
(CHEMBL135391 | Ethyl-carbamic acid 7-chloro-5-phen...)
Show SMILES CCNC(=O)OC1=C(Oc2c(Cl)cccc2-n2cccc12)c1ccccc1 |t:6|
Show InChI InChI=1S/C21H17ClN2O3/c1-2-23-21(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,2H2,1H3,(H,23,25)
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0.180n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PK11195 binding to Peripheral type benzodiazepine receptor (PBR) in rat cortex homogenate by 50%


J Med Chem 45: 4276-81 (2002)


BindingDB Entry DOI: 10.7270/Q20Z72MT
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50118528
PNG
(CHEMBL135514 | Ethyl-carbamic acid 5-phenyl-6-oxa-...)
Show SMILES CCNC(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccccc1 |t:6|
Show InChI InChI=1S/C21H18N2O3/c1-2-22-21(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,2H2,1H3,(H,22,24)
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0.200n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PK11195 binding to mitochondrial rat testis Peripheral type benzodiazepine receptor (PBR)


J Med Chem 45: 4276-81 (2002)


BindingDB Entry DOI: 10.7270/Q20Z72MT
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50118539
PNG
(CHEMBL136036 | Diethyl-carbamic acid 5-thiophen-2-...)
Show SMILES CCN(CC)C(=O)OC1=C(Oc2cccnc2-n2cccc12)c1cccs1 |t:8|
Show InChI InChI=1S/C20H19N3O3S/c1-3-22(4-2)20(24)26-17-14-8-6-12-23(14)19-15(9-5-11-21-19)25-18(17)16-10-7-13-27-16/h5-13H,3-4H2,1-2H3
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0.230n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PK11195 binding to Peripheral type benzodiazepine receptor (PBR) in rat cortex homogenate by 50%


J Med Chem 45: 4276-81 (2002)


BindingDB Entry DOI: 10.7270/Q20Z72MT
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50137975
PNG
(7-Bromo-9-(4-methyl-piperazin-1-yl)-4-thia-10a-aza...)
Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccc(Br)cc12 |t:8|
Show InChI InChI=1S/C17H18BrN3S/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/h2-6,11-12H,7-10H2,1H3
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0.25n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Dopamine receptor D3 in Sf9 cell membranes using [3H]7-OH-DPAT as radioligand


J Med Chem 47: 143-57 (2003)


Article DOI: 10.1021/jm0309811
BindingDB Entry DOI: 10.7270/Q2VM4CRH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50118541
PNG
(CHEMBL445583 | Cyclopropyl-carbamic acid 5-phenyl-...)
Show SMILES O=C(NC1CC1)OC1=C(Oc2ccccc2-n2cccc12)c1ccccc1 |t:8|
Show InChI InChI=1S/C22H18N2O3/c25-22(23-16-12-13-16)27-21-18-10-6-14-24(18)17-9-4-5-11-19(17)26-20(21)15-7-2-1-3-8-15/h1-11,14,16H,12-13H2,(H,23,25)
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0.310n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PK11195 binding to mitochondrial rat testis Peripheral type benzodiazepine receptor (PBR)


J Med Chem 45: 4276-81 (2002)


BindingDB Entry DOI: 10.7270/Q20Z72MT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007567
PNG
(1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...)
Show SMILES CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m1/s1
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0.330n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 2A receptor in rat tissue homogenate using [3H]ketanserin as radioligand


J Med Chem 47: 143-57 (2003)


Article DOI: 10.1021/jm0309811
BindingDB Entry DOI: 10.7270/Q2VM4CRH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50137981
PNG
(7-Chloro-9-(4-methyl-piperazin-1-yl)-4-thia-10a-az...)
Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C17H18ClN3S/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/h2-6,11-12H,7-10H2,1H3
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0.340n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 2A receptor in rat tissue homogenate using [3H]ketanserin as radioligand


J Med Chem 47: 143-57 (2003)


Article DOI: 10.1021/jm0309811
BindingDB Entry DOI: 10.7270/Q2VM4CRH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50137972
PNG
(7-Fluoro-9-(4-methyl-piperazin-1-yl)-4-thia-10a-az...)
Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccc(F)cc12 |t:8|
Show InChI InChI=1S/C17H18FN3S/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/h2-6,11-12H,7-10H2,1H3
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0.350n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 2A receptor in rat tissue homogenate using [3H]ketanserin as radioligand


J Med Chem 47: 143-57 (2003)


Article DOI: 10.1021/jm0309811
BindingDB Entry DOI: 10.7270/Q2VM4CRH
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007568
PNG
(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Dopamine receptor D2 in rat tissue homogenate using [3H]-spiperone as radioligand


J Med Chem 47: 143-57 (2003)


Article DOI: 10.1021/jm0309811
BindingDB Entry DOI: 10.7270/Q2VM4CRH
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50007568
PNG
(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Dopamine receptor D3 in Sf9 cell membranes using [3H]7-OH-DPAT as radioligand


J Med Chem 47: 143-57 (2003)


Article DOI: 10.1021/jm0309811
BindingDB Entry DOI: 10.7270/Q2VM4CRH
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50137981
PNG
(7-Chloro-9-(4-methyl-piperazin-1-yl)-4-thia-10a-az...)
Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C17H18ClN3S/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/h2-6,11-12H,7-10H2,1H3
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0.430n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Dopamine receptor D2 in rat tissue homogenate using [3H]-spiperone as radioligand


J Med Chem 47: 143-57 (2003)


Article DOI: 10.1021/jm0309811
BindingDB Entry DOI: 10.7270/Q2VM4CRH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50118534
PNG
(CHEMBL136926 | Dimethyl-carbamic acid 5-p-tolyl-6-...)
Show SMILES CN(C)C(=O)OC1=C(Oc2cccnc2-n2cccc12)c1ccc(C)cc1 |t:6|
Show InChI InChI=1S/C21H19N3O3/c1-14-8-10-15(11-9-14)18-19(27-21(25)23(2)3)16-6-5-13-24(16)20-17(26-18)7-4-12-22-20/h4-13H,1-3H3
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0.440n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PK11195 binding to Peripheral type benzodiazepine receptor (PBR) in rat cortex homogenate by 50%


J Med Chem 45: 4276-81 (2002)


BindingDB Entry DOI: 10.7270/Q20Z72MT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50060685
PNG
(9-Fluoro-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cccc(F)c2n2cccc12
Show InChI InChI=1S/C16H17FN4/c1-19-8-10-20(11-9-19)16-14-6-3-7-21(14)15-12(17)4-2-5-13(15)18-16/h2-7H,8-11H2,1H3
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0.440n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50137975
PNG
(7-Bromo-9-(4-methyl-piperazin-1-yl)-4-thia-10a-aza...)
Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccc(Br)cc12 |t:8|
Show InChI InChI=1S/C17H18BrN3S/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/h2-6,11-12H,7-10H2,1H3
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0.450n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Dopamine receptor D2 in rat tissue homogenate using [3H]-spiperone as radioligand


J Med Chem 47: 143-57 (2003)


Article DOI: 10.1021/jm0309811
BindingDB Entry DOI: 10.7270/Q2VM4CRH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50118541
PNG
(CHEMBL445583 | Cyclopropyl-carbamic acid 5-phenyl-...)
Show SMILES O=C(NC1CC1)OC1=C(Oc2ccccc2-n2cccc12)c1ccccc1 |t:8|
Show InChI InChI=1S/C22H18N2O3/c25-22(23-16-12-13-16)27-21-18-10-6-14-24(18)17-9-4-5-11-19(17)26-20(21)15-7-2-1-3-8-15/h1-11,14,16H,12-13H2,(H,23,25)
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0.470n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro-5-4864 binding to mitochondrial rat testis Peripheral type benzodiazepine receptor (PBR)


J Med Chem 45: 4276-81 (2002)


BindingDB Entry DOI: 10.7270/Q20Z72MT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50299661
PNG
(9-methyl-4-(4-((3H-imidazol-4-yl)methyl)piperazin-...)
Show SMILES Cc1cccc2nc(N3CCN(Cc4cnc[nH]4)CC3)c3cccn3c12
Show InChI InChI=1S/C20H22N6/c1-15-4-2-5-17-19(15)26-7-3-6-18(26)20(23-17)25-10-8-24(9-11-25)13-16-12-21-14-22-16/h2-7,12,14H,8-11,13H2,1H3,(H,21,22)
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0.490n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50137976
PNG
(9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f...)
Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12 |t:8|
Show InChI InChI=1S/C17H19N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,13H,9-12H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL




J Med Chem 47: 143-57 (2003)


Article DOI: 10.1021/jm0309811
BindingDB Entry DOI: 10.7270/Q2VM4CRH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50118542
PNG
(CHEMBL335300 | Diethyl-carbamic acid 5-m-tolyl-6-o...)
Show SMILES CCN(CC)C(=O)OC1=C(Oc2cccnc2-n2cccc12)c1cccc(C)c1 |t:8|
Show InChI InChI=1S/C23H23N3O3/c1-4-25(5-2)23(27)29-21-18-11-8-14-26(18)22-19(12-7-13-24-22)28-20(21)17-10-6-9-16(3)15-17/h6-15H,4-5H2,1-3H3
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0.560n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PK11195 binding to Peripheral type benzodiazepine receptor (PBR) in rat cortex homogenate by 50%


J Med Chem 45: 4276-81 (2002)


BindingDB Entry DOI: 10.7270/Q20Z72MT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50137976
PNG
(9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f...)
Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12 |t:8|
Show InChI InChI=1S/C17H19N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,13H,9-12H2,1H3
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0.650n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 2A receptor in rat tissue homogenate using [3H]ketanserin as radioligand


J Med Chem 47: 143-57 (2003)


Article DOI: 10.1021/jm0309811
BindingDB Entry DOI: 10.7270/Q2VM4CRH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50118545
PNG
(CHEMBL133144 | Ethyl-carbamic acid 5-p-tolyl-6-oxa...)
Show SMILES CCNC(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccc(C)cc1 |t:6|
Show InChI InChI=1S/C22H20N2O3/c1-3-23-22(25)27-21-18-8-6-14-24(18)17-7-4-5-9-19(17)26-20(21)16-12-10-15(2)11-13-16/h4-14H,3H2,1-2H3,(H,23,25)
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0.680n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PK11195 binding to Peripheral type benzodiazepine receptor (PBR) in rat cortex homogenate by 50%


J Med Chem 45: 4276-81 (2002)


BindingDB Entry DOI: 10.7270/Q20Z72MT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50299660
PNG
(7-fluoro-4-(4-((3H-imidazol-4-yl)methyl)piperazin-...)
Show SMILES Fc1ccc2c(c1)nc(N1CCN(Cc3cnc[nH]3)CC1)c1cccn21
Show InChI InChI=1S/C19H19FN6/c20-14-3-4-17-16(10-14)23-19(18-2-1-5-26(17)18)25-8-6-24(7-9-25)12-15-11-21-13-22-15/h1-5,10-11,13H,6-9,12H2,(H,21,22)
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0.680n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50118544
PNG
(CHEMBL335085 | Methyl-propyl-carbamic acid 5-pheny...)
Show SMILES CCCN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccccc1 |t:8|
Show InChI InChI=1S/C23H22N2O3/c1-3-15-24(2)23(26)28-22-19-13-9-16-25(19)18-12-7-8-14-20(18)27-21(22)17-10-5-4-6-11-17/h4-14,16H,3,15H2,1-2H3
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0.690n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PK11195 binding to Peripheral type benzodiazepine receptor (PBR) in rat cortex homogenate by 50%


J Med Chem 45: 4276-81 (2002)


BindingDB Entry DOI: 10.7270/Q20Z72MT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50081973
PNG
(4-(4-Methyl-piperazin-1-yl)-pyrrolo[1,2-a]quinoxal...)
Show SMILES CN1CCN(CC1)c1nc2cc(O)ccc2n2cccc12
Show InChI InChI=1S/C16H18N4O/c1-18-7-9-19(10-8-18)16-15-3-2-6-20(15)14-5-4-12(21)11-13(14)17-16/h2-6,11,21H,7-10H2,1H3
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0.700n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]zacopride from 5HT3 receptor in rat cortex


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50118527
PNG
(CHEMBL336774 | Methyl-carbamic acid 5-phenyl-6-oxa...)
Show SMILES CNC(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccccc1 |t:5|
Show InChI InChI=1S/C20H16N2O3/c1-21-20(23)25-19-16-11-7-13-22(16)15-10-5-6-12-17(15)24-18(19)14-8-3-2-4-9-14/h2-13H,1H3,(H,21,23)
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0.760n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro-5-4864 binding to mitochondrial rat testis Peripheral type benzodiazepine receptor (PBR)


J Med Chem 45: 4276-81 (2002)


BindingDB Entry DOI: 10.7270/Q20Z72MT
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50118543
PNG
(CHEMBL341455 | Ethyl-methyl-carbamic acid 5-phenyl...)
Show SMILES CCN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccccc1 |t:7|
Show InChI InChI=1S/C22H20N2O3/c1-3-23(2)22(25)27-21-18-13-9-15-24(18)17-12-7-8-14-19(17)26-20(21)16-10-5-4-6-11-16/h4-15H,3H2,1-2H3
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0.780n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PK11195 binding to Peripheral type benzodiazepine receptor (PBR) in rat cortex homogenate by 50%


J Med Chem 45: 4276-81 (2002)


BindingDB Entry DOI: 10.7270/Q20Z72MT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50081969
PNG
(9-Methyl-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cccc(C)c2n2cccc12
Show InChI InChI=1S/C17H20N4/c1-13-5-3-6-14-16(13)21-8-4-7-15(21)17(18-14)20-11-9-19(2)10-12-20/h3-8H,9-12H2,1-2H3
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0.790n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50060688
PNG
(7-Fluoro-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12
Show InChI InChI=1S/C16H17FN4/c1-19-7-9-20(10-8-19)16-15-3-2-6-21(15)14-5-4-12(17)11-13(14)18-16/h2-6,11H,7-10H2,1H3
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0.800n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50258431
PNG
(CHEMBL523716 | [4-(7-Fluoropyrrolo[1,2-a]quinoxali...)
Show SMILES ONC(=N)CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12
Show InChI InChI=1S/C17H19FN6O/c18-12-3-4-14-13(10-12)20-17(15-2-1-5-24(14)15)23-8-6-22(7-9-23)11-16(19)21-25/h1-5,10,25H,6-9,11H2,(H2,19,21)
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0.800n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50081969
PNG
(9-Methyl-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cccc(C)c2n2cccc12
Show InChI InChI=1S/C17H20N4/c1-13-5-3-6-14-16(13)21-8-4-7-15(21)17(18-14)20-11-9-19(2)10-12-20/h3-8H,9-12H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]zacopride from 5HT3 receptor in rat cortex


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50060688
PNG
(7-Fluoro-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12
Show InChI InChI=1S/C16H17FN4/c1-19-7-9-20(10-8-19)16-15-3-2-6-21(15)14-5-4-12(17)11-13(14)18-16/h2-6,11H,7-10H2,1H3
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0.810n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50137978
PNG
((S)-7-Chloro-9-(4-methyl-piperazin-1-yl)-9,10-dihy...)
Show SMILES CN1CCN(CC1)[C@@H]1Cn2cccc2Sc2ccc(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/t15-/m1/s1
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0.820n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL




J Med Chem 47: 143-57 (2003)


Article DOI: 10.1021/jm0309811
BindingDB Entry DOI: 10.7270/Q2VM4CRH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50137975
PNG
(7-Bromo-9-(4-methyl-piperazin-1-yl)-4-thia-10a-aza...)
Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccc(Br)cc12 |t:8|
Show InChI InChI=1S/C17H18BrN3S/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/h2-6,11-12H,7-10H2,1H3
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0.830n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 2A receptor in rat tissue homogenate using [3H]ketanserin as radioligand


J Med Chem 47: 143-57 (2003)


Article DOI: 10.1021/jm0309811
BindingDB Entry DOI: 10.7270/Q2VM4CRH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50118535
PNG
(CHEMBL135801 | Propyl-carbamic acid 5-phenyl-6-oxa...)
Show SMILES CCCNC(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccccc1 |t:7|
Show InChI InChI=1S/C22H20N2O3/c1-2-14-23-22(25)27-21-18-12-8-15-24(18)17-11-6-7-13-19(17)26-20(21)16-9-4-3-5-10-16/h3-13,15H,2,14H2,1H3,(H,23,25)
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0.910n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PK11195 binding to Peripheral type benzodiazepine receptor (PBR) in rat cortex homogenate by 50%


J Med Chem 45: 4276-81 (2002)


BindingDB Entry DOI: 10.7270/Q20Z72MT
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50118529
PNG
(Butyl-methyl-carbamic acid 5-phenyl-6-oxa-10b-aza-...)
Show SMILES CCCCN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccccc1 |t:9|
Show InChI InChI=1S/C24H24N2O3/c1-3-4-16-25(2)24(27)29-23-20-14-10-17-26(20)19-13-8-9-15-21(19)28-22(23)18-11-6-5-7-12-18/h5-15,17H,3-4,16H2,1-2H3
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0.920n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PK11195 binding to Peripheral type benzodiazepine receptor (PBR) in rat cortex homogenate by 50%


J Med Chem 45: 4276-81 (2002)


BindingDB Entry DOI: 10.7270/Q20Z72MT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50014407
PNG
(2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...)
Show SMILES C1CN(CCN1)c1ccc2ccccc2n1
Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
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0.960n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50014407
PNG
(2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...)
Show SMILES C1CN(CCN1)c1ccc2ccccc2n1
Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
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0.960n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50118527
PNG
(CHEMBL336774 | Methyl-carbamic acid 5-phenyl-6-oxa...)
Show SMILES CNC(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccccc1 |t:5|
Show InChI InChI=1S/C20H16N2O3/c1-21-20(23)25-19-16-11-7-13-22(16)15-10-5-6-12-17(15)24-18(19)14-8-3-2-4-9-14/h2-13H,1H3,(H,21,23)
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0.960n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PK11195 binding to mitochondrial rat testis Peripheral type benzodiazepine receptor (PBR)


J Med Chem 45: 4276-81 (2002)


BindingDB Entry DOI: 10.7270/Q20Z72MT
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50028601
PNG
(1-(8-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Cc2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-13-16-5-3-2-4-15(16)12-17-6-7-18(21)14-19(17)20/h2-7,13-14H,8-12H2,1H3
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1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Dopamine receptor D2 in rat tissue homogenate using [3H]-spiperone as radioligand


J Med Chem 47: 143-57 (2003)


Article DOI: 10.1021/jm0309811
BindingDB Entry DOI: 10.7270/Q2VM4CRH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50137980
PNG
(1-Methyl-9-(4-methyl-piperazin-1-yl)-4-thia-10a-az...)
Show SMILES CN1CCN(CC1)C1=Cn2c(C)ccc2Sc2ccccc12 |t:8|
Show InChI InChI=1S/C18H21N3S/c1-14-7-8-18-21(14)13-16(20-11-9-19(2)10-12-20)15-5-3-4-6-17(15)22-18/h3-8,13H,9-12H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 2A receptor in rat tissue homogenate using [3H]ketanserin as radioligand


J Med Chem 47: 143-57 (2003)


Article DOI: 10.1021/jm0309811
BindingDB Entry DOI: 10.7270/Q2VM4CRH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50137976
PNG
(9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f...)
Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12 |t:8|
Show InChI InChI=1S/C17H19N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,13H,9-12H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 2A receptor in human using [3H]ketanserin as radioligand


J Med Chem 47: 143-57 (2003)


Article DOI: 10.1021/jm0309811
BindingDB Entry DOI: 10.7270/Q2VM4CRH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50258495
PNG
((R)-2-Amino-3-[4-(7-fluoropyrrolo[1,2-a]quinoxalin...)
Show SMILES N[C@H](CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12)C(O)=O |r|
Show InChI InChI=1S/C18H20FN5O2/c19-12-3-4-15-14(10-12)21-17(16-2-1-5-24(15)16)23-8-6-22(7-9-23)11-13(20)18(25)26/h1-5,10,13H,6-9,11,20H2,(H,25,26)/t13-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50118546
PNG
(CHEMBL134781 | Diethyl-carbamic acid 5-m-tolyl-6-o...)
Show SMILES CCN(CC)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1cccc(C)c1 |t:8|
Show InChI InChI=1S/C24H24N2O3/c1-4-25(5-2)24(27)29-23-20-13-9-15-26(20)19-12-6-7-14-21(19)28-22(23)18-11-8-10-17(3)16-18/h6-16H,4-5H2,1-3H3
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1.20n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PK11195 binding to Peripheral type benzodiazepine receptor (PBR) in rat cortex homogenate by 50%


J Med Chem 45: 4276-81 (2002)


BindingDB Entry DOI: 10.7270/Q20Z72MT
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50118547
PNG
(CHEMBL135428 | Diethyl-carbamic acid 5-(3,5-difluo...)
Show SMILES CCN(CC)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1cc(F)cc(F)c1 |t:8|
Show InChI InChI=1S/C23H20F2N2O3/c1-3-26(4-2)23(28)30-22-19-9-7-11-27(19)18-8-5-6-10-20(18)29-21(22)15-12-16(24)14-17(25)13-15/h5-14H,3-4H2,1-2H3
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1.26n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PK11195 binding to Peripheral type benzodiazepine receptor (PBR) in rat cortex homogenate by 50%


J Med Chem 45: 4276-81 (2002)


BindingDB Entry DOI: 10.7270/Q20Z72MT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50137978
PNG
((S)-7-Chloro-9-(4-methyl-piperazin-1-yl)-9,10-dihy...)
Show SMILES CN1CCN(CC1)[C@@H]1Cn2cccc2Sc2ccc(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/t15-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 2A receptor in rat tissue homogenate using [3H]ketanserin as radioligand


J Med Chem 47: 143-57 (2003)


Article DOI: 10.1021/jm0309811
BindingDB Entry DOI: 10.7270/Q2VM4CRH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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1.60n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OHDPAT from 5HT1A receptor in rat hippocampus


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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1.60n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OHDPAT from 5HT1A receptor in rat hippocampus


J Med Chem 52: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50118531
PNG
(CHEMBL135327 | Diethyl-carbamic acid 5-phenyl-6-ox...)
Show SMILES CCN(CC)C(=O)OC1=C(Oc2cccnc2-n2cccc12)c1ccccc1 |t:8|
Show InChI InChI=1S/C22H21N3O3/c1-3-24(4-2)22(26)28-20-17-12-9-15-25(17)21-18(13-8-14-23-21)27-19(20)16-10-6-5-7-11-16/h5-15H,3-4H2,1-2H3
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1.77n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PK11195 binding to Peripheral type benzodiazepine receptor (PBR) in rat cortex homogenate by 50%


J Med Chem 45: 4276-81 (2002)


BindingDB Entry DOI: 10.7270/Q20Z72MT
More data for this
Ligand-Target Pair
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