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BDBM50513261 CHEMBL4544457

SMILES: OC(=O)C(O)=O.C(COc1ccccc1)NCC1COC(OC1)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=OPPIZFGAWWSDDB-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 = 50513261   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50513261
PNG
(CHEMBL4544457)
Show SMILES OC(=O)C(O)=O.C(COc1ccccc1)NCC1COC(OC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3/c1-4-10-22(11-5-1)25(23-12-6-2-7-13-23)28-19-21(20-29-25)18-26-16-17-27-24-14-8-3-9-15-24/h1-15,21,26H,16-20H2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
23n/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
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50513261
PNG
(CHEMBL4544457)
Show SMILES OC(=O)C(O)=O.C(COc1ccccc1)NCC1COC(OC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3/c1-4-10-22(11-5-1)25(23-12-6-2-7-13-23)28-19-21(20-29-25)18-26-16-17-27-24-14-8-3-9-15-24/h1-15,21,26H,16-20H2
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
178n/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
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50513261
PNG
(CHEMBL4544457)
Show SMILES OC(=O)C(O)=O.C(COc1ccccc1)NCC1COC(OC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3/c1-4-10-22(11-5-1)25(23-12-6-2-7-13-23)28-19-21(20-29-25)18-26-16-17-27-24-14-8-3-9-15-24/h1-15,21,26H,16-20H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
282n/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
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50513261
PNG
(CHEMBL4544457)
Show SMILES OC(=O)C(O)=O.C(COc1ccccc1)NCC1COC(OC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3/c1-4-10-22(11-5-1)25(23-12-6-2-7-13-23)28-19-21(20-29-25)18-26-16-17-27-24-14-8-3-9-15-24/h1-15,21,26H,16-20H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
288n/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
More data for this
Ligand-Target Pair