BindingDB logo
myBDB logout

BDBM192351 US9187462, I-31

SMILES: COc1ccc(cc1F)[C@H](NC(=O)c1ccc2cnc(NC3CCOCC3)nc2c1)[C@H]1C[C@H](F)CN1

InChI Key: InChIKey=WEZUSONGOXQEOY-ANJVHQHFSA-N

Data: 1 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 1 hit for monomerid = 192351   
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 [8-360]


(Homo sapiens (Human))
BDBM192351
PNG
(US9187462, I-31)
Show SMILES COc1ccc(cc1F)[C@H](NC(=O)c1ccc2cnc(NC3CCOCC3)nc2c1)[C@H]1C[C@H](F)CN1 |r|
Show InChI InChI=1S/C26H29F2N5O3/c1-35-23-5-4-15(10-20(23)28)24(22-12-18(27)14-29-22)33-25(34)16-2-3-17-13-30-26(32-21(17)11-16)31-19-6-8-36-9-7-19/h2-5,10-11,13,18-19,22,24,29H,6-9,12,14H2,1H3,(H,33,34)(H,30,31,32)/t18-,22+,24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.70n/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 US9187462 (2015)


BindingDB Entry DOI: 10.7270/Q21G0K2P
More data for this
Ligand-Target Pair