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BDBM272563 US10065967, Example 28::US9745307, Example 28

SMILES: COc1ncc(cn1)-c1n[nH]c2cc3NC(=O)N(Cc3cc12)[C@H](C)c1ccccc1

InChI Key: InChIKey=LNQVPHQZPDADKX-CYBMUJFWSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   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 = 272563   
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))
BDBM272563
PNG
(US10065967, Example 28 | US9745307, Example 28)
Show SMILES COc1ncc(cn1)-c1n[nH]c2cc3NC(=O)N(Cc3cc12)[C@H](C)c1ccccc1
Show InChI InChI=1S/C22H20N6O2/c1-13(14-6-4-3-5-7-14)28-12-15-8-17-19(9-18(15)25-22(28)29)26-27-20(17)16-10-23-21(30-2)24-11-16/h3-11,13H,12H2,1-2H3,(H,25,29)(H,26,27)/t13-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.600n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9745307 (2017)


Article DOI: 10.1016/j.bmc.2006.03.042
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272563
PNG
(US10065967, Example 28 | US9745307, Example 28)
Show SMILES COc1ncc(cn1)-c1n[nH]c2cc3NC(=O)N(Cc3cc12)[C@H](C)c1ccccc1
Show InChI InChI=1S/C22H20N6O2/c1-13(14-6-4-3-5-7-14)28-12-15-8-17-19(9-18(15)25-22(28)29)26-27-20(17)16-10-23-21(30-2)24-11-16/h3-11,13H,12H2,1-2H3,(H,25,29)(H,26,27)/t13-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.600n/an/an/an/an/an/a



Merck, Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US10065967 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair