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PDB code 2JBP

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 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
MAP kinase-activated protein kinase 2

  (324/324 = 100%)
(Homo sapiens (human))
BDBM30185
PNG
(CHEMBL226403 | Pyrrolopyridine, 16)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)
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n/an/a 8.5n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 2

  (324/324 = 100%)
(Homo sapiens (human))
BDBM30185
PNG
(CHEMBL226403 | Pyrrolopyridine, 16)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)
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n/an/a 8.5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2 expressed in Escherichia coli BL21(DE3) after 60 mins


J Med Chem 51: 6225-9 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 2

  (324/324 = 100%)
(Homo sapiens (human))
BDBM30185
PNG
(CHEMBL226403 | Pyrrolopyridine, 16)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)
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n/an/an/an/a 49n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3818-22 (2011)

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

Similar Ligands in BindingDB*

Found 1 hit 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
MAP kinase-activated protein kinase 2

  (324/324 = 100%)
(Homo sapiens (human))
BDBM30180
PNG
(Pyrrolopyridine, 11)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cccnc1
Show InChI InChI=1S/C17H14N4O/c22-17-13-9-16(21-14(13)4-7-20-17)11-3-6-19-15(8-11)12-2-1-5-18-10-12/h1-3,5-6,8-10,21H,4,7H2,(H,20,22)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 48n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)

Search BindingMOAD for More Affinity Data:

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