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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 = 'BDBM318375'   
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))
BDBM318375
PNG
(US10301317, Example 332 | US9624228, Example 332)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3[nH]c(=O)c(cc3cc12)C1CCCN(Cc2ccccc2)C1
Show InChI InChI=1S/C28H25N5O/c1-18-12-20(9-10-29-18)27-24-14-22-13-23(28(34)30-25(22)15-26(24)31-32-27)21-8-5-11-33(17-21)16-19-6-3-2-4-7-19/h2-4,6-7,9-10,12-15,21H,5,8,11,16-17H2,1H3
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))
BDBM318375
PNG
(US10301317, Example 332 | US9624228, Example 332)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3[nH]c(=O)c(cc3cc12)C1CCCN(Cc2ccccc2)C1
Show InChI InChI=1S/C28H25N5O/c1-18-12-20(9-10-29-18)27-24-14-22-13-23(28(34)30-25(22)15-26(24)31-32-27)21-8-5-11-33(17-21)16-19-6-3-2-4-7-19/h2-4,6-7,9-10,12-15,21H,5,8,11,16-17H2,1H3
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