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BDBM272576 US10065967, Example 36::US9745307, Example 36

SMILES: COCCOc1n[nH]c2cc3NC(=O)N(Cc3cc12)[C@H](C)c1ccccc1

InChI Key: InChIKey=FXNRXNANUNNFGH-CYBMUJFWSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 272576   
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))
BDBM272576
PNG
(US10065967, Example 36 | US9745307, Example 36)
Show SMILES COCCOc1n[nH]c2cc3NC(=O)N(Cc3cc12)[C@H](C)c1ccccc1
Show InChI InChI=1S/C20H22N4O3/c1-13(14-6-4-3-5-7-14)24-12-15-10-16-18(11-17(15)21-20(24)25)22-23-19(16)27-9-8-26-2/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,21,25)(H,22,23)/t13-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.40n/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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272576
PNG
(US10065967, Example 36 | US9745307, Example 36)
Show SMILES COCCOc1n[nH]c2cc3NC(=O)N(Cc3cc12)[C@H](C)c1ccccc1
Show InChI InChI=1S/C20H22N4O3/c1-13(14-6-4-3-5-7-14)24-12-15-10-16-18(11-17(15)21-20(24)25)22-23-19(16)27-9-8-26-2/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,21,25)(H,22,23)/t13-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.40n/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)

More data for this
Ligand-Target Pair