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BDBM120092 US8697715, 14::US9259470, 14

SMILES: OCC(c1ccc(Cl)c(F)c1)n1ccc(nc1=O)-c1ccnc(NC2CCOCC2)n1

InChI Key: InChIKey=VNDPDOBDSCDEBX-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 120092   
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


(Homo sapiens (Human))
BDBM120092
PNG
(US8697715, 14 | US9259470, 14)
Show SMILES OCC(c1ccc(Cl)c(F)c1)n1ccc(nc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C21H21ClFN5O3/c22-15-2-1-13(11-16(15)23)19(12-29)28-8-4-18(27-21(28)30)17-3-7-24-20(26-17)25-14-5-9-31-10-6-14/h1-4,7-8,11,14,19,29H,5-6,9-10,12H2,(H,24,25,26)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay


J Med Chem 58: 1976-91 (2015)


Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM120092
PNG
(US8697715, 14 | US9259470, 14)
Show SMILES OCC(c1ccc(Cl)c(F)c1)n1ccc(nc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C21H21ClFN5O3/c22-15-2-1-13(11-16(15)23)19(12-29)28-8-4-18(27-21(28)30)17-3-7-24-20(26-17)25-14-5-9-31-10-6-14/h1-4,7-8,11,14,19,29H,5-6,9-10,12H2,(H,24,25,26)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 15.6n/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 US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM120092
PNG
(US8697715, 14 | US9259470, 14)
Show SMILES OCC(c1ccc(Cl)c(F)c1)n1ccc(nc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C21H21ClFN5O3/c22-15-2-1-13(11-16(15)23)19(12-29)28-8-4-18(27-21(28)30)17-3-7-24-20(26-17)25-14-5-9-31-10-6-14/h1-4,7-8,11,14,19,29H,5-6,9-10,12H2,(H,24,25,26)
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 15.6n/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 US9259470 (2016)


BindingDB Entry DOI: 10.7270/Q28S4NSQ
More data for this
Ligand-Target Pair