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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM50358211'   
Target/Host
(Institution)
LigandTarget/Host
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
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358211
PNG
(CHEMBL1922212 | US8846696, (3S)-3-{9-Isopropyl-6-[...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-8-7-9-21-10-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m0/s1
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Similars

Article
PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
BindingDB Entry DOI: 10.7270/Q2NP24V1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358211
PNG
(CHEMBL1922212 | US8846696, (3S)-3-{9-Isopropyl-6-[...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-8-7-9-21-10-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Patents


Similars

US Patent
n/an/a 3.50E+4n/an/an/an/a7.4n/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XCT
More data for this
Ligand-Target Pair