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BDBM272557 US10065967, Example 23::US9745307, Example 23

SMILES: C[C@H](c1ccccc1)n1c(=O)[nH]c2cc3[nH]nc(-c4ccnc(C)c4)c3cc2c1=O

InChI Key: InChIKey=JGBUXLOOEQCCBC-CQSZACIVSA-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 = 272557   
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))
BDBM272557
PNG
(US10065967, Example 23 | US9745307, Example 23)
Show SMILES C[C@H](c1ccccc1)n1c(=O)[nH]c2cc3[nH]nc(-c4ccnc(C)c4)c3cc2c1=O
Show InChI InChI=1S/C23H17N5O2/c1-13-10-16(8-9-24-13)21-17-11-18-19(12-20(17)26-27-21)25-23(30)28(22(18)29)14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3/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 3.70n/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))
BDBM272557
PNG
(US10065967, Example 23 | US9745307, Example 23)
Show SMILES C[C@H](c1ccccc1)n1c(=O)[nH]c2cc3[nH]nc(-c4ccnc(C)c4)c3cc2c1=O
Show InChI InChI=1S/C23H17N5O2/c1-13-10-16(8-9-24-13)21-17-11-18-19(12-20(17)26-27-21)25-23(30)28(22(18)29)14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3/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 3.70n/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