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BDBM50448773 CHEMBL3128057

SMILES: CC(C)(O)C#Cc1ccc2cnn(-c3ccnc(N)n3)c2c1

InChI Key: InChIKey=MVGFFUCPMFAGBV-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50448773   
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))
BDBM50448773
PNG
(CHEMBL3128057)
Show SMILES CC(C)(O)C#Cc1ccc2cnn(-c3ccnc(N)n3)c2c1
Show InChI InChI=1S/C16H15N5O/c1-16(2,22)7-5-11-3-4-12-10-19-21(13(12)9-11)14-6-8-18-15(17)20-14/h3-4,6,8-10,22H,1-2H3,(H2,17,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
120n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-tagged recombinant human PAK4 kinase domain expressed in Escherichia coli using KKRNRRLSVA as substrate preincubat...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
PAK 1/CDC42


(Homo sapiens (Human))
BDBM50448773
PNG
(CHEMBL3128057)
Show SMILES CC(C)(O)C#Cc1ccc2cnn(-c3ccnc(N)n3)c2c1
Show InChI InChI=1S/C16H15N5O/c1-16(2,22)7-5-11-3-4-12-10-19-21(13(12)9-11)14-6-8-18-15(17)20-14/h3-4,6,8-10,22H,1-2H3,(H2,17,18,20)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>4.50E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-His-tagged recombinant human PAK1 kinase domain expressed in Escherichia coli BL21 using KKRNRRLSVA as sustrate pr...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair