BDBM103290 US8546404, 412
SMILES: COC[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChI Key: InChIKey=DPZYBMURJGUYOT-DIPNUNPCSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 103290 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM103290
(US8546404, 412)Show SMILES COC[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r,c:13| Show InChI InChI=1S/C37H36FN7O3/c1-48-24-37(36(47)41-30-11-12-32-31(21-30)34(43-42-32)27-7-9-29(38)10-8-27)15-20-44(23-37)22-33(46)45-18-13-26(14-19-45)25-3-5-28(6-4-25)35-39-16-2-17-40-35/h2-13,16-17,21H,14-15,18-20,22-24H2,1H3,(H,41,47)(H,42,43)/t37-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
Bioorg Med Chem Lett 28: 2029-2034 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.063
BindingDB Entry DOI: 10.7270/Q25H7JW8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM103290
(US8546404, 412)Show SMILES COC[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r,c:13| Show InChI InChI=1S/C37H36FN7O3/c1-48-24-37(36(47)41-30-11-12-32-31(21-30)34(43-42-32)27-7-9-29(38)10-8-27)15-20-44(23-37)22-33(46)45-18-13-26(14-19-45)25-3-5-28(6-4-25)35-39-16-2-17-40-35/h2-13,16-17,21H,14-15,18-20,22-24H2,1H3,(H,41,47)(H,42,43)/t37-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 38.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
More data for this
Ligand-Target Pair | |
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