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SMILES: CC(C)Nc1ncc2CCN(Cc2n1)C(=O)NC(CCN)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=WVKHCAZURZXNHZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 180966   
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))
BDBM180966
PNG
(US9133187, I-119)
Show SMILES CC(C)Nc1ncc2CCN(Cc2n1)C(=O)NC(CCN)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H27F3N6O/c1-13(2)27-19-26-11-15-8-10-30(12-18(15)28-19)20(31)29-17(7-9-25)14-3-5-16(6-4-14)21(22,23)24/h3-6,11,13,17H,7-10,12,25H2,1-2H3,(H,29,31)(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.80n/an/an/an/a7.3n/a



ARRAY BIOPHARMA INC.; GENENTECH, INC.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair