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BDBM50328489 1-Methyl-4-(8-phenyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-piperazine::CHEMBL1259043

SMILES: CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccccc1

InChI Key: InChIKey=MHGTXXJLRSTLOC-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50328489   
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
ADRA1B


(C.H.O.)
BDBM50328489
PNG
(1-Methyl-4-(8-phenyl-10,11-dihydrodibenzo[b,f]thie...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccccc1
Show InChI InChI=1S/C25H26N2S/c1-26-13-15-27(16-14-26)23-18-21-9-5-6-10-24(21)28-25-12-11-20(17-22(23)25)19-7-3-2-4-8-19/h2-12,17,23H,13-16,18H2,1H3
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.400n/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
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50328489
PNG
(1-Methyl-4-(8-phenyl-10,11-dihydrodibenzo[b,f]thie...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccccc1
Show InChI InChI=1S/C25H26N2S/c1-26-13-15-27(16-14-26)23-18-21-9-5-6-10-24(21)28-25-12-11-20(17-22(23)25)19-7-3-2-4-8-19/h2-12,17,23H,13-16,18H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50328489
PNG
(1-Methyl-4-(8-phenyl-10,11-dihydrodibenzo[b,f]thie...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccccc1
Show InChI InChI=1S/C25H26N2S/c1-26-13-15-27(16-14-26)23-18-21-9-5-6-10-24(21)28-25-12-11-20(17-22(23)25)19-7-3-2-4-8-19/h2-12,17,23H,13-16,18H2,1H3
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KEGG

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CHEMBL
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PC sid
UniChem

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Article
PubMed
1.80n/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
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50328489
PNG
(1-Methyl-4-(8-phenyl-10,11-dihydrodibenzo[b,f]thie...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccccc1
Show InChI InChI=1S/C25H26N2S/c1-26-13-15-27(16-14-26)23-18-21-9-5-6-10-24(21)28-25-12-11-20(17-22(23)25)19-7-3-2-4-8-19/h2-12,17,23H,13-16,18H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.60n/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