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SMILES: COc1ccc(cc1F)[C@H](NC(=O)c1ccc2cnc(N[C@@H](C)CO)cc2n1)c1cnn(C)c1

InChI Key: InChIKey=WRSGIHWQWREBIP-PSLXWICFSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 236882   
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
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM236882
PNG
(US9388171, I-24)
Show SMILES COc1ccc(cc1F)[C@H](NC(=O)c1ccc2cnc(N[C@@H](C)CO)cc2n1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C24H25FN6O3/c1-14(13-32)28-22-9-20-16(10-26-22)4-6-19(29-20)24(33)30-23(17-11-27-31(2)12-17)15-5-7-21(34-3)18(25)8-15/h4-12,14,23,32H,13H2,1-3H3,(H,26,28)(H,30,33)/t14-,23-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37.8n/an/an/an/an/a37



GENETECH, INC.; ARRAY BIOPHARMA INC.

US Patent


Assay Description
HepG2 cells were obtained from ATCC and grown in DMEM supplemented with 10% fetal bovine serum. Cells were plated in 96-well plates at 35,000 cells/w...


US Patent US9388171 (2016)


BindingDB Entry DOI: 10.7270/Q2ZC81SV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1 [8-360]


(Homo sapiens (Human))
BDBM236882
PNG
(US9388171, I-24)
Show SMILES COc1ccc(cc1F)[C@H](NC(=O)c1ccc2cnc(N[C@@H](C)CO)cc2n1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C24H25FN6O3/c1-14(13-32)28-22-9-20-16(10-26-22)4-6-19(29-20)24(33)30-23(17-11-27-31(2)12-17)15-5-7-21(34-3)18(25)8-15/h4-12,14,23,32H,13H2,1-3H3,(H,26,28)(H,30,33)/t14-,23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.15n/an/an/an/a7.3n/a



GENETECH, INC.; ARRAY BIOPHARMA 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 US9388171 (2016)


BindingDB Entry DOI: 10.7270/Q2ZC81SV
More data for this
Ligand-Target Pair