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BDBM50328483 1-Methyl-4-(8-(1-methyl-1H-1,2,4-triazol-3-yl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazine::CHEMBL1258988

SMILES: CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ncn(C)n1

InChI Key: InChIKey=VKHDCWQCGOAHKV-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 = 50328483   
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)
BDBM50328483
PNG
(1-Methyl-4-(8-(1-methyl-1H-1,2,4-triazol-3-yl)-10,...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ncn(C)n1
Show InChI InChI=1S/C22H25N5S/c1-25-9-11-27(12-10-25)19-14-16-5-3-4-6-20(16)28-21-8-7-17(13-18(19)21)22-23-15-26(2)24-22/h3-8,13,15,19H,9-12,14H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0860n/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
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50328483
PNG
(1-Methyl-4-(8-(1-methyl-1H-1,2,4-triazol-3-yl)-10,...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ncn(C)n1
Show InChI InChI=1S/C22H25N5S/c1-25-9-11-27(12-10-25)19-14-16-5-3-4-6-20(16)28-21-8-7-17(13-18(19)21)22-23-15-26(2)24-22/h3-8,13,15,19H,9-12,14H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.320n/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.)
BDBM50328483
PNG
(1-Methyl-4-(8-(1-methyl-1H-1,2,4-triazol-3-yl)-10,...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ncn(C)n1
Show InChI InChI=1S/C22H25N5S/c1-25-9-11-27(12-10-25)19-14-16-5-3-4-6-20(16)28-21-8-7-17(13-18(19)21)22-23-15-26(2)24-22/h3-8,13,15,19H,9-12,14H2,1-2H3
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/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))
BDBM50328483
PNG
(1-Methyl-4-(8-(1-methyl-1H-1,2,4-triazol-3-yl)-10,...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ncn(C)n1
Show InChI InChI=1S/C22H25N5S/c1-25-9-11-27(12-10-25)19-14-16-5-3-4-6-20(16)28-21-8-7-17(13-18(19)21)22-23-15-26(2)24-22/h3-8,13,15,19H,9-12,14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.90n/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