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BDBM50063538 CHEMBL3398605

SMILES: Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ncccn3)C2)cc1C(F)(F)F

InChI Key: InChIKey=CDBJMQGDUGLIIL-GNLPSFAGNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50063538   
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))
BDBM50063538
PNG
(CHEMBL3398605)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ncccn3)C2)cc1C(F)(F)F |r|
Show InChI InChI=1/C28H29F3N6O3/c29-28(30,31)23-16-21(4-7-24(23)38)34-27(40)20-8-11-35(17-20)18-25(39)37-14-12-36(13-15-37)22-5-2-19(3-6-22)26-32-9-1-10-33-26/h1-7,9-10,16,20,38H,8,11-15,17-18H2,(H,34,40)/t20-/s2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063538
PNG
(CHEMBL3398605)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ncccn3)C2)cc1C(F)(F)F |r|
Show InChI InChI=1/C28H29F3N6O3/c29-28(30,31)23-16-21(4-7-24(23)38)34-27(40)20-8-11-35(17-20)18-25(39)37-14-12-36(13-15-37)22-5-2-19(3-6-22)26-32-9-1-10-33-26/h1-7,9-10,16,20,38H,8,11-15,17-18H2,(H,34,40)/t20-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of activated Erk2 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair