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BDBM192356 US9187462, I-36

SMILES: Fc1ccc(cc1Cl)[C@H](NC(=O)c1ccc2cnc(NC3CCOCC3)nc2c1)[C@]1(F)CCNC1

InChI Key: InChIKey=QSUJYAYZUAGHMC-DHLKQENFSA-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 = 192356   
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))
BDBM192356
PNG
(US9187462, I-36)
Show SMILES Fc1ccc(cc1Cl)[C@H](NC(=O)c1ccc2cnc(NC3CCOCC3)nc2c1)[C@]1(F)CCNC1 |r|
Show InChI InChI=1S/C25H26ClF2N5O2/c26-19-11-15(3-4-20(19)27)22(25(28)7-8-29-14-25)33-23(34)16-1-2-17-13-30-24(32-21(17)12-16)31-18-5-9-35-10-6-18/h1-4,11-13,18,22,29H,5-10,14H2,(H,33,34)(H,30,31,32)/t22-,25-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.60n/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