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BDBM50328478 1-Methyl-4-(8-(2-methyl-2H-tetrazol-5-yl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazine::CHEMBL1259216

SMILES: CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1nnn(C)n1

InChI Key: InChIKey=VYGJNGJRTPHPPA-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50328478   
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 adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50328478
PNG
(1-Methyl-4-(8-(2-methyl-2H-tetrazol-5-yl)-10,11-di...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1nnn(C)n1
Show InChI InChI=1S/C21H24N6S/c1-25-9-11-27(12-10-25)18-14-15-5-3-4-6-19(15)28-20-8-7-16(13-17(18)20)21-22-24-26(2)23-21/h3-8,13,18H,9-12,14H2,1-2H3
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Article
PubMed
0.150n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from alpha1b receptor in rat cerebral cortex


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50328478
PNG
(1-Methyl-4-(8-(2-methyl-2H-tetrazol-5-yl)-10,11-di...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1nnn(C)n1
Show InChI InChI=1S/C21H24N6S/c1-25-9-11-27(12-10-25)18-14-15-5-3-4-6-19(15)28-20-8-7-16(13-17(18)20)21-22-24-26(2)23-21/h3-8,13,18H,9-12,14H2,1-2H3
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
0.170n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328478
PNG
(1-Methyl-4-(8-(2-methyl-2H-tetrazol-5-yl)-10,11-di...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1nnn(C)n1
Show InChI InChI=1S/C21H24N6S/c1-25-9-11-27(12-10-25)18-14-15-5-3-4-6-19(15)28-20-8-7-16(13-17(18)20)21-22-24-26(2)23-21/h3-8,13,18H,9-12,14H2,1-2H3
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Article
PubMed
0.350n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50328478
PNG
(1-Methyl-4-(8-(2-methyl-2H-tetrazol-5-yl)-10,11-di...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1nnn(C)n1
Show InChI InChI=1S/C21H24N6S/c1-25-9-11-27(12-10-25)18-14-15-5-3-4-6-19(15)28-20-8-7-16(13-17(18)20)21-22-24-26(2)23-21/h3-8,13,18H,9-12,14H2,1-2H3
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Article
PubMed
0.440n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2 receptor expressed in HEK293 cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50328478
PNG
(1-Methyl-4-(8-(2-methyl-2H-tetrazol-5-yl)-10,11-di...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1nnn(C)n1
Show InChI InChI=1S/C21H24N6S/c1-25-9-11-27(12-10-25)18-14-15-5-3-4-6-19(15)28-20-8-7-16(13-17(18)20)21-22-24-26(2)23-21/h3-8,13,18H,9-12,14H2,1-2H3
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
1n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from rat cloned alpha1d receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50328478
PNG
(1-Methyl-4-(8-(2-methyl-2H-tetrazol-5-yl)-10,11-di...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1nnn(C)n1
Show InChI InChI=1S/C21H24N6S/c1-25-9-11-27(12-10-25)18-14-15-5-3-4-6-19(15)28-20-8-7-16(13-17(18)20)21-22-24-26(2)23-21/h3-8,13,18H,9-12,14H2,1-2H3
Reactome pathway
KEGG

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PC sid
UniChem

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Article
PubMed
2.30n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from human cloned dopamine D2 receptor expressed in CHO cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair