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BDBM50289292 2-Methyl-10-(4-methyl-4-oxy-piperazin-1-yl)-4H-3-thia-4,9-diaza-benzo[f]azulene::CHEMBL440512

SMILES: Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1

InChI Key: InChIKey=LJVNYCDXBXGQIK-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50289292   
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
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 |c:13|
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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Article
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 |c:13|
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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Article
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 |c:13|
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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Article
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
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 |c:13|
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
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 |c:13|
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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Article
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))
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 |c:13|
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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Article
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))
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 |c:13|
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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Article
>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 |c:13|
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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Article
>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