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SMILES: COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4sc3c2=O)CC1

InChI Key: InChIKey=KRIXMAGTZZHFLF-UHFFFAOYSA-N

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 = 50023200   
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-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50023200
PNG
(CHEMBL220221)
Show SMILES COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4sc3c2=O)CC1
Show InChI InChI=1S/C24H26N4O2S/c1-17-25-22-18-7-3-6-10-21(18)31-23(22)24(29)28(17)16-13-26-11-14-27(15-12-26)19-8-4-5-9-20(19)30-2/h3-10H,11-16H2,1-2H3
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PubMed
0.398n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE2254 from human alpha1d receptor expressed in HEK293 cells


Eur J Med Chem 83: 419-32 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.057
BindingDB Entry DOI: 10.7270/Q2639RBH
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50023200
PNG
(CHEMBL220221)
Show SMILES COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4sc3c2=O)CC1
Show InChI InChI=1S/C24H26N4O2S/c1-17-25-22-18-7-3-6-10-21(18)31-23(22)24(29)28(17)16-13-26-11-14-27(15-12-26)19-8-4-5-9-20(19)30-2/h3-10H,11-16H2,1-2H3
Reactome pathway
KEGG

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PC sid
UniChem

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Article
PubMed
0.398n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE2254 from human cloned adrenergic alpha 1D receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 6200-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.034
BindingDB Entry DOI: 10.7270/Q2GT5QZC
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50023200
PNG
(CHEMBL220221)
Show SMILES COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4sc3c2=O)CC1
Show InChI InChI=1S/C24H26N4O2S/c1-17-25-22-18-7-3-6-10-21(18)31-23(22)24(29)28(17)16-13-26-11-14-27(15-12-26)19-8-4-5-9-20(19)30-2/h3-10H,11-16H2,1-2H3
Reactome pathway
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PubMed
1.5n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE2254 from human cloned adrenergic alpha 1A receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 6200-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.034
BindingDB Entry DOI: 10.7270/Q2GT5QZC
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50023200
PNG
(CHEMBL220221)
Show SMILES COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4sc3c2=O)CC1
Show InChI InChI=1S/C24H26N4O2S/c1-17-25-22-18-7-3-6-10-21(18)31-23(22)24(29)28(17)16-13-26-11-14-27(15-12-26)19-8-4-5-9-20(19)30-2/h3-10H,11-16H2,1-2H3
Reactome pathway
KEGG

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PC sid
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PubMed
1.5n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE2254 from human alpha1a receptor expressed in HEK293 cells


Eur J Med Chem 83: 419-32 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.057
BindingDB Entry DOI: 10.7270/Q2639RBH
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50023200
PNG
(CHEMBL220221)
Show SMILES COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4sc3c2=O)CC1
Show InChI InChI=1S/C24H26N4O2S/c1-17-25-22-18-7-3-6-10-21(18)31-23(22)24(29)28(17)16-13-26-11-14-27(15-12-26)19-8-4-5-9-20(19)30-2/h3-10H,11-16H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
17n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE2254 from human cloned adrenergic alpha 1B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 6200-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.034
BindingDB Entry DOI: 10.7270/Q2GT5QZC
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50023200
PNG
(CHEMBL220221)
Show SMILES COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4sc3c2=O)CC1
Show InChI InChI=1S/C24H26N4O2S/c1-17-25-22-18-7-3-6-10-21(18)31-23(22)24(29)28(17)16-13-26-11-14-27(15-12-26)19-8-4-5-9-20(19)30-2/h3-10H,11-16H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
17n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE2254 from human alpha1b receptor expressed in HEK293 cells


Eur J Med Chem 83: 419-32 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.057
BindingDB Entry DOI: 10.7270/Q2639RBH
More data for this
Ligand-Target Pair