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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50029916   
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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50289291
PNG
(2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12
Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against histamine H1 neuronal receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
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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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against histamine H1 neuronal receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50240701
PNG
(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
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9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal Dopamine receptor D2


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
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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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal 5-hydroxytryptamine 2 receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50289291
PNG
(2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12
Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
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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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))
BDBM50289291
PNG
(2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12
Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal 5-hydroxytryptamine 2 receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
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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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal Dopamine receptor D2


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50240701
PNG
(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
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22n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against histamine H1 neuronal receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50289291
PNG
(2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12
Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3
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22n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal Dopamine receptor D2


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))
BDBM50240701
PNG
(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal 5-hydroxytryptamine 2 receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50289291
PNG
(2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12
Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3
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66n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against dopamine neuronal Dopamine receptor D1


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
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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68n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against muscarinic neuronal receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50240701
PNG
(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
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80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50289292
PNG
(2-Methyl-10-(4-methyl-4-oxy-piperazin-1-yl)-4H-3-t...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1
Show InChI InChI=1S/C17H20N4OS/c1-12-11-13-16(20-7-9-21(2,22)10-8-20)18-14-5-3-4-6-15(14)19-17(13)23-12/h3-6,11,19H,7-10H2,1-2H3
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87n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against histamine H1 neuronal receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))
BDBM50289292
PNG
(2-Methyl-10-(4-methyl-4-oxy-piperazin-1-yl)-4H-3-t...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1
Show InChI InChI=1S/C17H20N4OS/c1-12-11-13-16(20-7-9-21(2,22)10-8-20)18-14-5-3-4-6-15(14)19-17(13)23-12/h3-6,11,19H,7-10H2,1-2H3
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112n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal 5-hydroxytryptamine 2 receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50289292
PNG
(2-Methyl-10-(4-methyl-4-oxy-piperazin-1-yl)-4H-3-t...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1
Show InChI InChI=1S/C17H20N4OS/c1-12-11-13-16(20-7-9-21(2,22)10-8-20)18-14-5-3-4-6-15(14)19-17(13)23-12/h3-6,11,19H,7-10H2,1-2H3
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119n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal Dopamine receptor D2


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
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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119n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against dopamine neuronal Dopamine receptor D1


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50240701
PNG
(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
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203n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against dopamine neuronal Dopamine receptor D1


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
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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263n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal alpha-2 adrenergic receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50289292
PNG
(2-Methyl-10-(4-methyl-4-oxy-piperazin-1-yl)-4H-3-t...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1
Show InChI InChI=1S/C17H20N4OS/c1-12-11-13-16(20-7-9-21(2,22)10-8-20)18-14-5-3-4-6-15(14)19-17(13)23-12/h3-6,11,19H,7-10H2,1-2H3
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266n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50240701
PNG
(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
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333n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against muscarinic neuronal receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50289292
PNG
(2-Methyl-10-(4-methyl-4-oxy-piperazin-1-yl)-4H-3-t...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1
Show InChI InChI=1S/C17H20N4OS/c1-12-11-13-16(20-7-9-21(2,22)10-8-20)18-14-5-3-4-6-15(14)19-17(13)23-12/h3-6,11,19H,7-10H2,1-2H3
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395n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against dopamine neuronal Dopamine receptor D1


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50289291
PNG
(2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12
Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3
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501n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against muscarinic neuronal receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50289292
PNG
(2-Methyl-10-(4-methyl-4-oxy-piperazin-1-yl)-4H-3-t...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1
Show InChI InChI=1S/C17H20N4OS/c1-12-11-13-16(20-7-9-21(2,22)10-8-20)18-14-5-3-4-6-15(14)19-17(13)23-12/h3-6,11,19H,7-10H2,1-2H3
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662n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against muscarinic neuronal receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50289291
PNG
(2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12
Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3
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783n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal alpha-2 adrenergic receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50240701
PNG
(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal alpha-2 adrenergic receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human))
BDBM50289291
PNG
(2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12
Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II...


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
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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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal Beta adrenergic receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50289292
PNG
(2-Methyl-10-(4-methyl-4-oxy-piperazin-1-yl)-4H-3-t...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1
Show InChI InChI=1S/C17H20N4OS/c1-12-11-13-16(20-7-9-21(2,22)10-8-20)18-14-5-3-4-6-15(14)19-17(13)23-12/h3-6,11,19H,7-10H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal alpha-2 adrenergic receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human))
BDBM50289292
PNG
(2-Methyl-10-(4-methyl-4-oxy-piperazin-1-yl)-4H-3-t...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1
Show InChI InChI=1S/C17H20N4OS/c1-12-11-13-16(20-7-9-21(2,22)10-8-20)18-14-5-3-4-6-15(14)19-17(13)23-12/h3-6,11,19H,7-10H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal Beta adrenergic receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human))
BDBM50240701
PNG
(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal Beta adrenergic receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair