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PDB code 2OJG

Compile Data Set for Download or QSAR

Identical 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 ERK2

  (360/360 = 100%)
(Homo sapiens (human))
BDBM15614
PNG
(N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrro...)
Show SMILES CN(C)C(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1ccccc1
Show InChI InChI=1S/C16H16N4O/c1-20(2)16(21)14-8-12(9-17-14)15-13(10-18-19-15)11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H,18,19)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem

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PDB
Article
PubMed
2.30E+3 -32.7n/an/an/an/an/a7.530



Vertex



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by ERK2 was converted to ATP by pyruvate kinase with the production of pyruvate fr...


Citation and Details
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 ERK2

  (360/360 = 100%)
(Homo sapiens (human))
BDBM15615
PNG
(4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-ethyl-N-m...)
Show SMILES CCN(C)C(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1
Show InChI InChI=1S/C17H17ClN4O/c1-3-22(2)17(23)15-8-12(9-19-15)16-14(10-20-21-16)11-5-4-6-13(18)7-11/h4-10,19H,3H2,1-2H3,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
580 -36.2n/an/an/an/an/a7.530



Vertex



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by ERK2 was converted to ATP by pyruvate kinase with the production of pyruvate fr...


Citation and Details
More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

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