BindingDB logo
myBDB logout

null

SMILES: OC(=O)C(O)=O.COc1ccccc1OCCNCCC1COC(O1)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=CYRZINCBPQQCOM-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 4 hits for monomerid = 50513275   
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-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50513275
PNG
(CHEMBL4458714)
Show SMILES OC(=O)C(O)=O.COc1ccccc1OCCNCCC1COC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4.C2H2O4/c1-28-24-14-8-9-15-25(24)29-19-18-27-17-16-23-20-30-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22;3-1(4)2(5)6/h2-15,23,27H,16-20H2,1H3;(H,3,4)(H,5,6)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H] prazosin from human cloned adrenoceptor alpha 1B expressed in CHO cell membrane incubated for 30 mins by liquid scintillation co...


Eur J Med Chem 176: 310-325 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.024
BindingDB Entry DOI: 10.7270/Q26976XT
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50513275
PNG
(CHEMBL4458714)
Show SMILES OC(=O)C(O)=O.COc1ccccc1OCCNCCC1COC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4.C2H2O4/c1-28-24-14-8-9-15-25(24)29-19-18-27-17-16-23-20-30-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22;3-1(4)2(5)6/h2-15,23,27H,16-20H2,1H3;(H,3,4)(H,5,6)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H] prazosin from human cloned adrenoceptor alpha 1D expressed in CHO cell membrane incubated for 30 mins by liquid scintillation co...


Eur J Med Chem 176: 310-325 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.024
BindingDB Entry DOI: 10.7270/Q26976XT
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50513275
PNG
(CHEMBL4458714)
Show SMILES OC(=O)C(O)=O.COc1ccccc1OCCNCCC1COC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4.C2H2O4/c1-28-24-14-8-9-15-25(24)29-19-18-27-17-16-23-20-30-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22;3-1(4)2(5)6/h2-15,23,27H,16-20H2,1H3;(H,3,4)(H,5,6)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H] prazosin from human cloned adrenoceptor alpha 1A expressed in CHO cell membrane incubated for 30 mins by liquid scintillation co...


Eur J Med Chem 176: 310-325 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.024
BindingDB Entry DOI: 10.7270/Q26976XT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50513275
PNG
(CHEMBL4458714)
Show SMILES OC(=O)C(O)=O.COc1ccccc1OCCNCCC1COC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4.C2H2O4/c1-28-24-14-8-9-15-25(24)29-19-18-27-17-16-23-20-30-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22;3-1(4)2(5)6/h2-15,23,27H,16-20H2,1H3;(H,3,4)(H,5,6)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.501n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT-1AR transfected in HeLa cells incubated for 30 mins by liquid scintillation counter


Eur J Med Chem 176: 310-325 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.024
BindingDB Entry DOI: 10.7270/Q26976XT
More data for this
Ligand-Target Pair