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BDBM272541 US10065967, Example 7::US9745307, Example 7

SMILES: Cn1cc(cn1)-c1n[nH]c2cc3[nH]c(=O)c(Cc4ccccc4)cc3cc12

InChI Key: InChIKey=GSRRNYRDKPAGPJ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 272541   
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))
BDBM272541
PNG
(US10065967, Example 7 | US9745307, Example 7)
Show SMILES Cn1cc(cn1)-c1n[nH]c2cc3[nH]c(=O)c(Cc4ccccc4)cc3cc12
Show InChI InChI=1S/C21H15N5O/c1-26-12-16(11-22-26)20-17-9-14-8-15(7-13-5-3-2-4-6-13)21(27)23-18(14)10-19(17)24-25-20/h2-6,8-12H,7H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/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))
BDBM272541
PNG
(US10065967, Example 7 | US9745307, Example 7)
Show SMILES Cn1cc(cn1)-c1n[nH]c2cc3[nH]c(=O)c(Cc4ccccc4)cc3cc12
Show InChI InChI=1S/C21H15N5O/c1-26-12-16(11-22-26)20-17-9-14-8-15(7-13-5-3-2-4-6-13)21(27)23-18(14)10-19(17)24-25-20/h2-6,8-12H,7H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/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