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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
IC50
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EC50
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Compile Data Set for Download or QSAR
Found
4
hits of ki for monomerid = 50395890
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
Glycogen synthase kinase-3 beta
(Homo sapiens (Human))
BDBM50395890
(CHEMBL2163774)
Show SMILES
COc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
Show InChI
InChI=1S/C25H19NO3/c1-27-19-12-13-21-20(14-19)24-23(18-10-6-3-7-11-18)22(15-26-25(24)29-21)28-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
20
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Martin-Luther University Halle-Wittenberg
Curated by
ChEMBL
Assay Description
Inhibition of GSK3beta
Bioorg Med Chem Lett
22:
6914
-
8
(2012)
Article DOI:
10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI:
10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human))
BDBM50395890
(CHEMBL2163774)
Show SMILES
COc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
Show InChI
InChI=1S/C25H19NO3/c1-27-19-12-13-21-20(14-19)24-23(18-10-6-3-7-11-18)22(15-26-25(24)29-21)28-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
2.61E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Martin-Luther University Halle-Wittenberg
Curated by
ChEMBL
Assay Description
Inhibition of CDK5/p25
Bioorg Med Chem Lett
22:
6914
-
8
(2012)
Article DOI:
10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI:
10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human))
BDBM50395890
(CHEMBL2163774)
Show SMILES
COc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
Show InChI
InChI=1S/C25H19NO3/c1-27-19-12-13-21-20(14-19)24-23(18-10-6-3-7-11-18)22(15-26-25(24)29-21)28-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
>1.00E+6
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Martin-Luther University Halle-Wittenberg
Curated by
ChEMBL
Assay Description
Inhibition of CDK2/Cyclin E
Bioorg Med Chem Lett
22:
6914
-
8
(2012)
Article DOI:
10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI:
10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human))
BDBM50395890
(CHEMBL2163774)
Show SMILES
COc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
Show InChI
InChI=1S/C25H19NO3/c1-27-19-12-13-21-20(14-19)24-23(18-10-6-3-7-11-18)22(15-26-25(24)29-21)28-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
>1.00E+6
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Martin-Luther University Halle-Wittenberg
Curated by
ChEMBL
Assay Description
Inhibition of CDK1/Cyclin B
Bioorg Med Chem Lett
22:
6914
-
8
(2012)
Article DOI:
10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI:
10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
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