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SMILES: CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccn3)[nH]nc2C1(C)C)c1ccccc1

InChI Key: InChIKey=DDZMUAKMLZHEEB-LJQANCHMSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50389120   
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
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389120
PNG
(CHEMBL2064565)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccn3)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C24H28N6O3/c1-24(2)20-17(21(28-27-20)26-22(31)18-12-8-9-13-25-18)14-30(24)23(32)33-19(15-29(3)4)16-10-6-5-7-11-16/h5-13,19H,14-15H2,1-4H3,(H2,26,27,28,31)/t19-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
31n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
BindingDB Entry DOI: 10.7270/Q2BZ673W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389120
PNG
(CHEMBL2064565)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccn3)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C24H28N6O3/c1-24(2)20-17(21(28-27-20)26-22(31)18-12-8-9-13-25-18)14-30(24)23(32)33-19(15-29(3)4)16-10-6-5-7-11-16/h5-13,19H,14-15H2,1-4H3,(H2,26,27,28,31)/t19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 28n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4-mediated GEF-H1 phosphorylation at Ser810 by cell based assay


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
BindingDB Entry DOI: 10.7270/Q2BZ673W
More data for this
Ligand-Target Pair