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BDBM50251153 CHEMBL4093649

SMILES: Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)N2CCOCC2)n[nH]1

InChI Key: InChIKey=REZJPRGFFAPIPT-UHFFFAOYSA-N

Data: 1 KI  1 Kd

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 = 50251153   
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))
BDBM50251153
PNG
(CHEMBL4093649)
Show SMILES Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)N2CCOCC2)n[nH]1
Show InChI InChI=1S/C17H17ClN6O2/c1-10-8-14(23-22-10)20-15-12-9-11(18)2-3-13(12)19-16(21-15)17(25)24-4-6-26-7-5-24/h2-3,8-9H,4-7H2,1H3,(H2,19,20,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.17E+3n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251153
PNG
(CHEMBL4093649)
Show SMILES Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)N2CCOCC2)n[nH]1
Show InChI InChI=1S/C17H17ClN6O2/c1-10-8-14(23-22-10)20-15-12-9-11(18)2-3-13(12)19-16(21-15)17(25)24-4-6-26-7-5-24/h2-3,8-9H,4-7H2,1H3,(H2,19,20,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.94E+3n/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to biotin-labeled human truncated PAK4 kinase domain by surface plasmon resonance assay


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair