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SMILES: COc1ccc(cc1F)[C@H](NC(=O)c1cc(F)c2cnc(N[C@@H]3CCOC[C@@H]3F)nc2c1)c1cnn(C)c1

InChI Key: InChIKey=YHZOHYDIEKONRJ-IMSXRSKXSA-N

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 192390   
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))
BDBM192390
PNG
(BDBM192405 | US9187462, I-70 | US9187462, II-15)
Show SMILES COc1ccc(cc1F)[C@H](NC(=O)c1cc(F)c2cnc(N[C@@H]3CCOC[C@@H]3F)nc2c1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C26H25F3N6O3/c1-35-12-16(10-31-35)24(14-3-4-23(37-2)19(28)7-14)34-25(36)15-8-18(27)17-11-30-26(33-22(17)9-15)32-21-5-6-38-13-20(21)29/h3-4,7-12,20-21,24H,5-6,13H2,1-2H3,(H,34,36)(H,30,32,33)/t20-,21+,24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.30n/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
Mitogen-activated protein kinase 1 [8-360]


(Homo sapiens (Human))
BDBM192390
PNG
(BDBM192405 | US9187462, I-70 | US9187462, II-15)
Show SMILES COc1ccc(cc1F)[C@H](NC(=O)c1cc(F)c2cnc(N[C@@H]3CCOC[C@@H]3F)nc2c1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C26H25F3N6O3/c1-35-12-16(10-31-35)24(14-3-4-23(37-2)19(28)7-14)34-25(36)15-8-18(27)17-11-30-26(33-22(17)9-15)32-21-5-6-38-13-20(21)29/h3-4,7-12,20-21,24H,5-6,13H2,1-2H3,(H,34,36)(H,30,32,33)/t20-,21+,24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4n/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