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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 = 'BDBM318114'   
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))
BDBM318114
PNG
(US10301317, Example 70 | US9624228, Example 70)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3NC(=O)N(Cc3cc12)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H28N6O/c1-18-13-20(7-10-28-18)26-23-14-21-17-33(27(34)29-24(21)15-25(23)30-31-26)22-8-11-32(12-9-22)16-19-5-3-2-4-6-19/h2-7,10,13-15,22H,8-9,11-12,16-17H2,1H3,(H,29,34)(H,30,31)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a



GSK



Assay Description
The inhibition of ERK activity by the compounds disclosed herein was determined using the Z′-LYTE kinase assay kit (Life Technologies) with a S...


Bioorg Med Chem Lett 18: 5018-22 (2008)


BindingDB Entry DOI: 10.7270/Q2GM89M0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM318114
PNG
(US10301317, Example 70 | US9624228, Example 70)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3NC(=O)N(Cc3cc12)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H28N6O/c1-18-13-20(7-10-28-18)26-23-14-21-17-33(27(34)29-24(21)15-25(23)30-31-26)22-8-11-32(12-9-22)16-19-5-3-2-4-6-19/h2-7,10,13-15,22H,8-9,11-12,16-17H2,1H3,(H,29,34)(H,30,31)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a



Kura Oncology, Inc.

US Patent


Assay Description
The inhibition of ERK activity by the compounds disclosed herein was determined using the Z′-LYTE kinase assay kit (Life Technologies) with a S...


US Patent US9624228 (2017)


BindingDB Entry DOI: 10.7270/Q22809PP
More data for this
Ligand-Target Pair