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1 similar compounds to monomer 50416854

Compile data set for download or QSAR
Wt: 455.5
BDBM50416856

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50416856   
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))
BDBM50416856
PNG
(CHEMBL1254660)
Show SMILES COc1cccc(OC)c1S(=O)CCNCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C25H29NO5S/c1-28-23-13-8-14-24(29-2)25(23)32(27)18-16-26-15-17-30-21-11-6-7-12-22(21)31-19-20-9-4-3-5-10-20/h3-14,26H,15-19H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.75n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic Alpha-1D expressed in CHO cells


Bioorg Med Chem 18: 7065-77 (2010)


Article DOI: 10.1016/j.bmc.2010.08.002
BindingDB Entry DOI: 10.7270/Q2B27WKF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50416856
PNG
(CHEMBL1254660)
Show SMILES COc1cccc(OC)c1S(=O)CCNCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C25H29NO5S/c1-28-23-13-8-14-24(29-2)25(23)32(27)18-16-26-15-17-30-21-11-6-7-12-22(21)31-19-20-9-4-3-5-10-20/h3-14,26H,15-19H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.16n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human adrenergic 5HT1A expressed in human HeLa cells cells


Bioorg Med Chem 18: 7065-77 (2010)


Article DOI: 10.1016/j.bmc.2010.08.002
BindingDB Entry DOI: 10.7270/Q2B27WKF
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50416856
PNG
(CHEMBL1254660)
Show SMILES COc1cccc(OC)c1S(=O)CCNCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C25H29NO5S/c1-28-23-13-8-14-24(29-2)25(23)32(27)18-16-26-15-17-30-21-11-6-7-12-22(21)31-19-20-9-4-3-5-10-20/h3-14,26H,15-19H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15.8n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic Alpha-1B expressed in CHO cells


Bioorg Med Chem 18: 7065-77 (2010)


Article DOI: 10.1016/j.bmc.2010.08.002
BindingDB Entry DOI: 10.7270/Q2B27WKF
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50416856
PNG
(CHEMBL1254660)
Show SMILES COc1cccc(OC)c1S(=O)CCNCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C25H29NO5S/c1-28-23-13-8-14-24(29-2)25(23)32(27)18-16-26-15-17-30-21-11-6-7-12-22(21)31-19-20-9-4-3-5-10-20/h3-14,26H,15-19H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
19.9n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A expressed in CHO cells


Bioorg Med Chem 18: 7065-77 (2010)


Article DOI: 10.1016/j.bmc.2010.08.002
BindingDB Entry DOI: 10.7270/Q2B27WKF
More data for this
Ligand-Target Pair