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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adrenergic receptor alpha-2' and Ligand = 'BDBM94630'   
Target/Host
(Institution)
LigandTarget/Host
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
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM94630
PNG
(4-Amino-5-chloro-2-ethoxy-N-[4-(4-fluoro-benzyl)-m...)
Show SMILES CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
Show InChI InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)
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KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thymidylate synthase (TS) in human


J Med Chem 34: 616-24 (1991)


Article DOI: 10.1021/jm00106a023
BindingDB Entry DOI: 10.7270/Q29887M5
More data for this
Ligand-Target Pair