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BDBM50489332 CHEMBL3217231

SMILES: Cl.Cl.OC(COc1cccc2c1oc1ccccc1c2=O)CN1CCN(C\C=C\c2ccccc2)CC1

InChI Key: InChIKey=PGSZGEAKMCUSTD-WRQJSNHTSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50489332   
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
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50489332
PNG
(CHEMBL3217231)
Show SMILES Cl.Cl.OC(COc1cccc2c1oc1ccccc1c2=O)CN1CCN(C\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C29H30N2O4.2ClH/c32-23(20-31-18-16-30(17-19-31)15-7-10-22-8-2-1-3-9-22)21-34-27-14-6-12-25-28(33)24-11-4-5-13-26(24)35-29(25)27;;/h1-14,23,32H,15-21H2;2*1H/b10-7+;;
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 634n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from alpha2-adrenergic receptor in rat cerebral cortex by liquid scintillation counting

Bioorg Med Chem 21: 514-22 (2013)


Article DOI: 10.1016/j.bmc.2012.11.014
BindingDB Entry DOI: 10.7270/Q2P27200
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50489332
PNG
(CHEMBL3217231)
Show SMILES Cl.Cl.OC(COc1cccc2c1oc1ccccc1c2=O)CN1CCN(C\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C29H30N2O4.2ClH/c32-23(20-31-18-16-30(17-19-31)15-7-10-22-8-2-1-3-9-22)21-34-27-14-6-12-25-28(33)24-11-4-5-13-26(24)35-29(25)27;;/h1-14,23,32H,15-21H2;2*1H/b10-7+;;
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 677n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex by liquid scintillation counting

Bioorg Med Chem 21: 514-22 (2013)


Article DOI: 10.1016/j.bmc.2012.11.014
BindingDB Entry DOI: 10.7270/Q2P27200
More data for this
Ligand-Target Pair