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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM272550'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM272550
PNG
(US10065967, Example 16 | US9745307, Example 16)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3NC(=O)N(Cc3cc12)C1CCCOc2ccccc12
Show InChI InChI=1S/C25H23N5O2/c1-15-11-16(8-9-26-15)24-19-12-17-14-30(25(31)27-20(17)13-21(19)28-29-24)22-6-4-10-32-23-7-3-2-5-18(22)23/h2-3,5,7-9,11-13,22H,4,6,10,14H2,1H3,(H,27,31)(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.80n/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))
BDBM272550
PNG
(US10065967, Example 16 | US9745307, Example 16)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3NC(=O)N(Cc3cc12)C1CCCOc2ccccc12
Show InChI InChI=1S/C25H23N5O2/c1-15-11-16(8-9-26-15)24-19-12-17-14-30(25(31)27-20(17)13-21(19)28-29-24)22-6-4-10-32-23-7-3-2-5-18(22)23/h2-3,5,7-9,11-13,22H,4,6,10,14H2,1H3,(H,27,31)(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.80n/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