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SMILES: COc1ncc(cn1)-c1n[nH]c2cc3[nH]c(=O)c(cc3cc12)C1CCCN(Cc2ccccc2)C1

InChI Key: InChIKey=QPXVIPHIGFXHTC-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 318406   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM318406
PNG
(US10301317, Example 364 | US9624228, Example 364)
Show SMILES COc1ncc(cn1)-c1n[nH]c2cc3[nH]c(=O)c(cc3cc12)C1CCCN(Cc2ccccc2)C1
Show InChI InChI=1S/C27H24N6O2/c1-35-27-28-13-20(14-29-27)25-22-11-19-10-21(26(34)30-23(19)12-24(22)31-32-25)18-8-5-9-33(16-18)15-17-6-3-2-4-7-17/h2-4,6-7,10-14,18H,5,8-9,15-16H2,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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AffyNet 
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))
BDBM318406
PNG
(US10301317, Example 364 | US9624228, Example 364)
Show SMILES COc1ncc(cn1)-c1n[nH]c2cc3[nH]c(=O)c(cc3cc12)C1CCCN(Cc2ccccc2)C1
Show InChI InChI=1S/C27H24N6O2/c1-35-27-28-13-20(14-29-27)25-22-11-19-10-21(26(34)30-23(19)12-24(22)31-32-25)18-8-5-9-33(16-18)15-17-6-3-2-4-7-17/h2-4,6-7,10-14,18H,5,8-9,15-16H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
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