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Target
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EC50
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 312.3
BDBM50176522
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
2
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Alpha-1D adrenergic receptor
(Rattus norvegicus (Rat))
BDBM50176522
(7-methoxy-3-(3',5'-dimethoxyphenyl)coumarin | CHEM...)
Show SMILES
COc1ccc2cc(-c3cc(OC)cc(OC)c3)c(=O)oc2c1
Show InChI
InChI=1S/C18H16O5/c1-20-13-5-4-11-8-16(18(19)23-17(11)10-13)12-6-14(21-2)9-15(7-12)22-3/h4-10H,1-3H3
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
5.25E+4
n/a
n/a
n/a
n/a
n/a
n/a
Universidad de Santiago de Compostela
Curated by
ChEMBL
Assay Description
Noradrenaline induced vasorelaxant activity in intact rat aortic rings
Bioorg Med Chem Lett
16:
257
-
61
(2005)
Article DOI:
10.1016/j.bmcl.2005.10.013
BindingDB Entry DOI:
10.7270/Q2SQ8ZXQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1
(Homo sapiens (Human))
BDBM50176522
(7-methoxy-3-(3',5'-dimethoxyphenyl)coumarin | CHEM...)
Show SMILES
COc1ccc2cc(-c3cc(OC)cc(OC)c3)c(=O)oc2c1
Show InChI
InChI=1S/C18H16O5/c1-20-13-5-4-11-8-16(18(19)23-17(11)10-13)12-6-14(21-2)9-15(7-12)22-3/h4-10H,1-3H3
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
>1.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
Universidad de Santiago de Compostela
Curated by
ChEMBL
Assay Description
Inhibition of thrombin-induced platelet aggregation in human
Bioorg Med Chem Lett
16:
257
-
61
(2005)
Article DOI:
10.1016/j.bmcl.2005.10.013
BindingDB Entry DOI:
10.7270/Q2SQ8ZXQ
More data for this
Ligand-Target Pair