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BDBM351000 US9796700, Compound I-90

SMILES: COc1cc(Nc2ncc(c(Nc3ccc(C)cc3NC(=O)C=C)n2)C(F)(F)F)c(C)cn1

InChI Key: InChIKey=ILUKRINUNLAVMH-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 351000   
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
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351000
PNG
(US9796700, Compound I-90)
Show SMILES COc1cc(Nc2ncc(c(Nc3ccc(C)cc3NC(=O)C=C)n2)C(F)(F)F)c(C)cn1
Show InChI InChI=1S/C22H21F3N6O2/c1-5-18(32)28-17-8-12(2)6-7-15(17)29-20-14(22(23,24)25)11-27-21(31-20)30-16-9-19(33-4)26-10-13(16)3/h5-11H,1H2,2-4H3,(H,28,32)(H2,26,27,29,30,31)
PDB
MMDB

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PC cid
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Article
US Patent
n/an/a<100n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)


Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair