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BDBM50328488 5-(11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepin-2-yl)pyrimidine::CHEMBL1259042

SMILES: CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cncnc1

InChI Key: InChIKey=FVJVBIJJZNFQKE-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 = 50328488   
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
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50328488
PNG
(5-(11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenz...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cncnc1
Show InChI InChI=1S/C23H24N4S/c1-26-8-10-27(11-9-26)21-13-18-4-2-3-5-22(18)28-23-7-6-17(12-20(21)23)19-14-24-16-25-15-19/h2-7,12,14-16,21H,8-11,13H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/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))
BDBM50328488
PNG
(5-(11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenz...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cncnc1
Show InChI InChI=1S/C23H24N4S/c1-26-8-10-27(11-9-26)21-13-18-4-2-3-5-22(18)28-23-7-6-17(12-20(21)23)19-14-24-16-25-15-19/h2-7,12,14-16,21H,8-11,13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.730n/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))
BDBM50328488
PNG
(5-(11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenz...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cncnc1
Show InChI InChI=1S/C23H24N4S/c1-26-8-10-27(11-9-26)21-13-18-4-2-3-5-22(18)28-23-7-6-17(12-20(21)23)19-14-24-16-25-15-19/h2-7,12,14-16,21H,8-11,13H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.240n/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
ADRA1B


(C.H.O.)
BDBM50328488
PNG
(5-(11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenz...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cncnc1
Show InChI InChI=1S/C23H24N4S/c1-26-8-10-27(11-9-26)21-13-18-4-2-3-5-22(18)28-23-7-6-17(12-20(21)23)19-14-24-16-25-15-19/h2-7,12,14-16,21H,8-11,13H2,1H3
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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 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