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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50409687'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50409687
PNG
(CHEMBL44403)
Show SMILES COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O
Show InChI InChI=1S/C27H29NO4/c1-30-24-13-8-14-25(31-2)27(24)32-16-15-28-18-20-17-23(19-9-4-3-5-10-19)21-11-6-7-12-22(21)26(20)29/h3-14,20,23,28H,15-18H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/an/a 0.347n/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonistic affinity tested against isolated Rat Prostate Alpha-1A adrenergic receptor


J Med Chem 45: 1633-43 (2002)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50409687
PNG
(CHEMBL44403)
Show SMILES COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O
Show InChI InChI=1S/C27H29NO4/c1-30-24-13-8-14-25(31-2)27(24)32-16-15-28-18-20-17-23(19-9-4-3-5-10-19)21-11-6-7-12-22(21)26(20)29/h3-14,20,23,28H,15-18H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/an/a 0.447n/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonistic affinity tested against isolated Rat Prostatic Vas Deferens Alpha-1A adrenergic receptor


J Med Chem 45: 1633-43 (2002)

More data for this
Ligand-Target Pair