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BDBM272788 US10065967, Example 39::US9745307, Example 39

SMILES: C[C@@H](N1Cc2cc3c(OC4CCOCC4)n[nH]c3cc2NC1=O)c1ccccc1

InChI Key: InChIKey=DIBLETUUCCVIFS-CQSZACIVSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 272788   
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))
BDBM272788
PNG
(US10065967, Example 39 | US9745307, Example 39)
Show SMILES C[C@@H](N1Cc2cc3c(OC4CCOCC4)n[nH]c3cc2NC1=O)c1ccccc1
Show InChI InChI=1S/C22H24N4O3/c1-14(15-5-3-2-4-6-15)26-13-16-11-18-20(12-19(16)23-22(26)27)24-25-21(18)29-17-7-9-28-10-8-17/h2-6,11-12,14,17H,7-10,13H2,1H3,(H,23,27)(H,24,25)/t14-/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 10n/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))
BDBM272788
PNG
(US10065967, Example 39 | US9745307, Example 39)
Show SMILES C[C@@H](N1Cc2cc3c(OC4CCOCC4)n[nH]c3cc2NC1=O)c1ccccc1
Show InChI InChI=1S/C22H24N4O3/c1-14(15-5-3-2-4-6-15)26-13-16-11-18-20(12-19(16)23-22(26)27)24-25-21(18)29-17-7-9-28-10-8-17/h2-6,11-12,14,17H,7-10,13H2,1H3,(H,23,27)(H,24,25)/t14-/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 10n/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