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BDBM272548 US10065967, Example 14::US9624228, Example 372::US9745307, Example 14

SMILES: Cc1cc(ccn1)-c1n[nH]c2cc3NC(=O)N(Cc4ccccc4)Cc3cc12

InChI Key: InChIKey=CALDQTLAPNNYRM-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 272548   
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))
BDBM272548
PNG
(US10065967, Example 14 | US9624228, Example 372 | ...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3NC(=O)N(Cc4ccccc4)Cc3cc12
Show InChI InChI=1S/C22H19N5O/c1-14-9-16(7-8-23-14)21-18-10-17-13-27(12-15-5-3-2-4-6-15)22(28)24-19(17)11-20(18)25-26-21/h2-11H,12-13H2,1H3,(H,24,28)(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/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
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272548
PNG
(US10065967, Example 14 | US9624228, Example 372 | ...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3NC(=O)N(Cc4ccccc4)Cc3cc12
Show InChI InChI=1S/C22H19N5O/c1-14-9-16(7-8-23-14)21-18-10-17-13-27(12-15-5-3-2-4-6-15)22(28)24-19(17)11-20(18)25-26-21/h2-11H,12-13H2,1H3,(H,24,28)(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/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))
BDBM272548
PNG
(US10065967, Example 14 | US9624228, Example 372 | ...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3NC(=O)N(Cc4ccccc4)Cc3cc12
Show InChI InChI=1S/C22H19N5O/c1-14-9-16(7-8-23-14)21-18-10-17-13-27(12-15-5-3-2-4-6-15)22(28)24-19(17)11-20(18)25-26-21/h2-11H,12-13H2,1H3,(H,24,28)(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a



Kura Oncology, Inc.

US Patent


Assay Description
The inhibition of ERK activity by the compounds disclosed herein was determined using the Z′-LYTE kinase assay kit (Life Technologies) with a S...


US Patent US9624228 (2017)

More data for this
Ligand-Target Pair