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BDBM236883 US9388171, I-30

SMILES: Fc1cc(CCNC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)ccc1Cl

InChI Key: InChIKey=QDULKFTXPAMMHU-UHFFFAOYSA-N

Data: 2 IC50

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 = 236883   
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))
BDBM236883
PNG
(US9388171, I-30)
Show SMILES Fc1cc(CCNC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)ccc1Cl
Show InChI InChI=1S/C22H22ClFN4O2/c23-17-3-1-14(11-18(17)24)5-8-25-22(29)19-4-2-15-13-26-21(12-20(15)28-19)27-16-6-9-30-10-7-16/h1-4,11-13,16H,5-10H2,(H,25,29)(H,26,27)
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 476n/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))
BDBM236883
PNG
(US9388171, I-30)
Show SMILES Fc1cc(CCNC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)ccc1Cl
Show InChI InChI=1S/C22H22ClFN4O2/c23-17-3-1-14(11-18(17)24)5-8-25-22(29)19-4-2-15-13-26-21(12-20(15)28-19)27-16-6-9-30-10-7-16/h1-4,11-13,16H,5-10H2,(H,25,29)(H,26,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.95n/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