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BDBM50137976 9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f]azulene::CHEMBL367045

SMILES: CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12

InChI Key: InChIKey=JFLBTRDHDHTNGX-UHFFFAOYSA-N

Data: 15 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50137976   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
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



Università di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ketanserin binding to rat 5-hydroxytryptamine 2A receptor


J Med Chem 48: 1705-8 (2005)


Article DOI: 10.1021/jm049629t
BindingDB Entry DOI: 10.7270/Q2R49Q72
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
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
Histamine H1 receptor


(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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2.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Histamine H1 receptor of rat frontal cortex homogenate by using radioligand [3H]pyrilamine


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
D(3) dopamine receptor


(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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antibodypedia
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UniChem

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8.30n/an/an/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-7-OH-DPAT binding to Dopamine D3 receptor expressed in Sf9 cells


J Med Chem 48: 1705-8 (2005)


Article DOI: 10.1021/jm049629t
BindingDB Entry DOI: 10.7270/Q2R49Q72
More data for this
Ligand-Target Pair
Dopamine 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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UniChem

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8.30n/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
D(2) dopamine receptor


(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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13n/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 human 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 D2 receptor/Serotonin 2 (5-HT2) 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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17n/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 D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(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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17n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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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17.2n/an/an/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-spiperone binding to rat dopamine D2 receptor


J Med Chem 48: 1705-8 (2005)


Article DOI: 10.1021/jm049629t
BindingDB Entry DOI: 10.7270/Q2R49Q72
More data for this
Ligand-Target Pair
DOPAMINE


(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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19.7n/an/an/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to rat dopamine D1 receptor


J Med Chem 48: 1705-8 (2005)


Article DOI: 10.1021/jm049629t
BindingDB Entry DOI: 10.7270/Q2R49Q72
More data for this
Ligand-Target Pair
DOPAMINE


(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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20n/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 D1 in rat tissue homogenate using [3H]-SCH- 23390 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
Adrenergic receptor alpha-2


(RAT-NEONATAL 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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1.02E+3n/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
Muscarinic acetylcholine receptor M1


(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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2.07E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity towards M1 receptor of rat frontal cortex homogenate by using radioligand [3H]QNB


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