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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM272544'   
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))
BDBM272544
PNG
((R)-6-(1-(4-fluorophenyl)ethyl)-3-(2-methylpyridin...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1)c1ccc(F)cc1
Show InChI InChI=1S/C23H20FN5O/c1-13-9-16(7-8-25-13)22-19-10-17-12-29(14(2)15-3-5-18(24)6-4-15)23(30)26-20(17)11-21(19)27-28-22/h3-11,14H,12H2,1-2H3,(H,26,30)(H,27,28)/t14-/m1/s1
PDB
MMDB

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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
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272544
PNG
((R)-6-(1-(4-fluorophenyl)ethyl)-3-(2-methylpyridin...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1)c1ccc(F)cc1
Show InChI InChI=1S/C23H20FN5O/c1-13-9-16(7-8-25-13)22-19-10-17-12-29(14(2)15-3-5-18(24)6-4-15)23(30)26-20(17)11-21(19)27-28-22/h3-11,14H,12H2,1-2H3,(H,26,30)(H,27,28)/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 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))
BDBM272544
PNG
((R)-6-(1-(4-fluorophenyl)ethyl)-3-(2-methylpyridin...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1)c1ccc(F)cc1
Show InChI InChI=1S/C23H20FN5O/c1-13-9-16(7-8-25-13)22-19-10-17-12-29(14(2)15-3-5-18(24)6-4-15)23(30)26-20(17)11-21(19)27-28-22/h3-11,14H,12H2,1-2H3,(H,26,30)(H,27,28)/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 150n/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