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PDB code 2ZV2

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   
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
CaM-kinase kinase beta

  (291/291 = 100%)
(Homo sapiens)
BDBM92455
PNG
(CHEMBL265470 | STO-609)
Show SMILES OC(=O)c1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23
Show InChI InChI=1S/C19H10N2O3/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18/h1-9H,(H,23,24)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
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PDB
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of CAMKKbeta in the presence of 20uM ATP


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CaM-kinase kinase beta

  (291/291 = 100%)
(Homo sapiens)
BDBM92455
PNG
(CHEMBL265470 | STO-609)
Show SMILES OC(=O)c1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23
Show InChI InChI=1S/C19H10N2O3/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18/h1-9H,(H,23,24)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CaM-KKbeta


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CaM-kinase kinase beta

  (291/291 = 100%)
(Homo sapiens)
BDBM92455
PNG
(CHEMBL265470 | STO-609)
Show SMILES OC(=O)c1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23
Show InChI InChI=1S/C19H10N2O3/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18/h1-9H,(H,23,24)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 500n/an/an/an/a7.530



RIKEN Systems and Structural Biology Center



Assay Description
The AMPK peptide including the sequence surrounding the phosphorylation site of AMPK (167GEFLRTSCGSP177), was synthesized at the Support Unit for Bio...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calcium/calmodulin-dependent protein kinase kinase 2 (CaMKKB) P274E

  (290/291 > 99%)
(Homo sapiens (Human))
BDBM92455
PNG
(CHEMBL265470 | STO-609)
Show SMILES OC(=O)c1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23
Show InChI InChI=1S/C19H10N2O3/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18/h1-9H,(H,23,24)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 2.42E+4n/an/an/an/a7.530



RIKEN Systems and Structural Biology Center



Assay Description
The AMPK peptide including the sequence surrounding the phosphorylation site of AMPK (167GEFLRTSCGSP177), was synthesized at the Support Unit for Bio...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output