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Compile Data Set for Download or QSAR

Found 206 hits with Last Name = 'goegan' 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
Translocator protein


(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
Translocator protein


(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
5-hydroxytryptamine receptor 2A


(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
Half-maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50056378
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
Show InChI InChI=1S/C22H29N5O2S2/c1-15-16(2)31-20-19(15)21(28)27(23)22(24-20)30-14-6-9-25-10-12-26(13-11-25)17-7-4-5-8-18(17)29-3/h4-5,7-8H,6,9-14,23H2,1-3H3
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0.160n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes


Bioorg Med Chem Lett 10: 1089-92 (2000)


BindingDB Entry DOI: 10.7270/Q25D8R2B
More data for this
Ligand-Target Pair
Translocator protein


(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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50088696
PNG
(3-Amino-6-ethyl-2-{3-[4-(2-methoxy-phenyl)-piperaz...)
Show SMILES CCc1cc2c(nc(SCCCN3CCN(CC3)c3ccccc3OC)n(N)c2=O)s1
Show InChI InChI=1S/C22H29N5O2S2/c1-3-16-15-17-20(31-16)24-22(27(23)21(17)28)30-14-6-9-25-10-12-26(13-11-25)18-7-4-5-8-19(18)29-2/h4-5,7-8,15H,3,6,9-14,23H2,1-2H3
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0.190n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes


Bioorg Med Chem Lett 10: 1089-92 (2000)


BindingDB Entry DOI: 10.7270/Q25D8R2B
More data for this
Ligand-Target Pair
Translocator protein


(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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM22872
PNG
(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(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
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0.230n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair
Translocator protein


(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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50088686
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc4CCCc4c3c(=O)n2N)CC1
Show InChI InChI=1S/C23H29N5O2S2/c1-30-18-8-3-2-7-17(18)27-13-11-26(12-14-27)10-5-15-31-23-25-21-20(22(29)28(23)24)16-6-4-9-19(16)32-21/h2-3,7-8H,4-6,9-15,24H2,1H3
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0.260n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes


Bioorg Med Chem Lett 10: 1089-92 (2000)


BindingDB Entry DOI: 10.7270/Q25D8R2B
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [3H]7-OH-DPAT binding to Histamine H1 receptor in rat tissue homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair
Translocator protein


(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
5-hydroxytryptamine receptor 2A


(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
Half-maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair
D(3) 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
Half-maximal inhibition of [3H]-7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair
D(2) 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
Half-maximal inhibition of [3H]spiperone binding to Dopamine receptor D2 in rat striatal homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair
Translocator protein


(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
Translocator protein


(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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM22872
PNG
(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(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
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0.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [3H]spiperone binding to Dopamine receptor D2 in rat striatal homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair
Translocator protein


(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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50056384
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sccc3c(=O)n2N)CC1
Show InChI InChI=1S/C20H25N5O2S2/c1-27-17-6-3-2-5-16(17)24-11-9-23(10-12-24)8-4-13-29-20-22-18-15(7-14-28-18)19(26)25(20)21/h2-3,5-7,14H,4,8-13,21H2,1H3
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0.650n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes


Bioorg Med Chem Lett 10: 1089-92 (2000)


BindingDB Entry DOI: 10.7270/Q25D8R2B
More data for this
Ligand-Target Pair
Translocator protein


(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
Translocator protein


(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
Translocator protein


(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
Translocator protein


(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
Translocator protein


(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
Translocator protein


(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
Translocator protein


(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
5-hydroxytryptamine receptor 2A


(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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1.14n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair
Translocator protein


(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
Translocator protein


(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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50088693
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES CCCc1cc2c(nc(SCCCN3CCN(CC3)c3ccccc3OC)n(N)c2=O)s1
Show InChI InChI=1S/C23H31N5O2S2/c1-3-7-17-16-18-21(32-17)25-23(28(24)22(18)29)31-15-6-10-26-11-13-27(14-12-26)19-8-4-5-9-20(19)30-2/h4-5,8-9,16H,3,6-7,10-15,24H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes


Bioorg Med Chem Lett 10: 1089-92 (2000)


BindingDB Entry DOI: 10.7270/Q25D8R2B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50088690
PNG
(3-Amino-5,6-dimethyl-2-{3-[4-(2-nitro-phenyl)-pipe...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ccccc3[N+]([O-])=O)n(N)c(=O)c2c1C
Show InChI InChI=1S/C21H26N6O3S2/c1-14-15(2)32-19-18(14)20(28)26(22)21(23-19)31-13-5-8-24-9-11-25(12-10-24)16-6-3-4-7-17(16)27(29)30/h3-4,6-7H,5,8-13,22H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes


Bioorg Med Chem Lett 10: 1089-92 (2000)


BindingDB Entry DOI: 10.7270/Q25D8R2B
More data for this
Ligand-Target Pair
Translocator protein


(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
D(1A) dopamine receptor


(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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1.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 in rat striatal homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(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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2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 in rat striatal homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair
Translocator protein


(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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2.21n/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
Translocator protein


(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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2.26n/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
D(1A) dopamine receptor


(RAT)
BDBM22872
PNG
(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(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
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2.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 in rat striatal homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM22872
PNG
(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(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
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2.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [3H]-7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50056384
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sccc3c(=O)n2N)CC1
Show InChI InChI=1S/C20H25N5O2S2/c1-27-17-6-3-2-5-16(17)24-11-9-23(10-12-24)8-4-13-29-20-22-18-15(7-14-28-18)19(26)25(20)21/h2-3,5-7,14H,4,8-13,21H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortex membranes


Bioorg Med Chem Lett 10: 1089-92 (2000)


BindingDB Entry DOI: 10.7270/Q25D8R2B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50088695
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyls...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc(N)c3c(C)c(C)sc3n2)CC1
Show InChI InChI=1S/C22H29N5OS2/c1-15-16(2)30-21-19(15)20(23)24-22(25-21)29-14-6-9-26-10-12-27(13-11-26)17-7-4-5-8-18(17)28-3/h4-5,7-8H,6,9-14H2,1-3H3,(H2,23,24,25)
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2.5n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes


Bioorg Med Chem Lett 10: 1089-92 (2000)


BindingDB Entry DOI: 10.7270/Q25D8R2B
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50118540
PNG
(Acetic acid 5-m-tolyl-6-oxa-10b-aza-benzo[e]azulen...)
Show SMILES CC(=O)OC1=C(Oc2ccccc2-n2cccc12)c1cccc(C)c1 |t:4|
Show InChI InChI=1S/C21H17NO3/c1-14-7-5-8-16(13-14)20-21(24-15(2)23)18-10-6-12-22(18)17-9-3-4-11-19(17)25-20/h3-13H,1-2H3
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2.5n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50088692
PNG
(3-Amino-2-{3-[4-(2-nitro-phenyl)-piperazin-1-yl]-p...)
Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccccc2[N+]([O-])=O)nc2sccc2c1=O
Show InChI InChI=1S/C19H22N6O3S2/c20-24-18(26)14-6-13-29-17(14)21-19(24)30-12-3-7-22-8-10-23(11-9-22)15-4-1-2-5-16(15)25(27)28/h1-2,4-6,13H,3,7-12,20H2
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3n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes


Bioorg Med Chem Lett 10: 1089-92 (2000)


BindingDB Entry DOI: 10.7270/Q25D8R2B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50108590
PNG
((+/-)7-Chloro-9-(4-ethyl-piperazin-1-yl)-9,10-dihy...)
Show SMILES CCN1CCN(CC1)C1Cn2cccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H22ClN3S/c1-2-20-8-10-21(11-9-20)16-13-22-7-3-4-18(22)23-17-6-5-14(19)12-15(16)17/h3-7,12,16H,2,8-11,13H2,1H3
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3.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [3H]spiperone binding to Dopamine receptor D2 in rat striatal homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50108596
PNG
((+/-)2-[4-(7-Chloro-9,10-dihydro-4-thia-10a-aza-be...)
Show SMILES OCCN1CCN(CC1)C1Cn2cccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H22ClN3OS/c19-14-3-4-17-15(12-14)16(13-22-5-1-2-18(22)24-17)21-8-6-20(7-9-21)10-11-23/h1-5,12,16,23H,6-11,13H2
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3.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [3H]-7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair
D(2) dopamine 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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3.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [3H]spiperone binding to Dopamine receptor D2 in rat striatal homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50108595
PNG
((+/-)7-Bromo-9-(4-methyl-piperazin-1-yl)-9,10-dihy...)
Show SMILES CN1CCN(CC1)C1Cn2cccc2Sc2ccc(Br)cc12
Show InChI InChI=1S/C17H20BrN3S/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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3.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [3H]-7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50108595
PNG
((+/-)7-Bromo-9-(4-methyl-piperazin-1-yl)-9,10-dihy...)
Show SMILES CN1CCN(CC1)C1Cn2cccc2Sc2ccc(Br)cc12
Show InChI InChI=1S/C17H20BrN3S/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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3.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [3H]spiperone binding to Dopamine receptor D2 in rat striatal homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50056362
PNG
(3-Amino-5,6-dimethyl-2-[3-(4-pyrimidin-2-yl-pipera...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ncccn3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C19H25N7OS2/c1-13-14(2)29-16-15(13)17(27)26(20)19(23-16)28-12-4-7-24-8-10-25(11-9-24)18-21-5-3-6-22-18/h3,5-6H,4,7-12,20H2,1-2H3
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3.70n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes


Bioorg Med Chem Lett 10: 1089-92 (2000)


BindingDB Entry DOI: 10.7270/Q25D8R2B
More data for this
Ligand-Target Pair
D(2) 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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3.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [3H]spiperone binding to Dopamine receptor D2 in rat striatal homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair
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