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3 similar compounds to monomer 50125934

Compile data set for download or QSAR
Wt: 350.4
BDBM50237832

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50237832   
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))
BDBM50237832
PNG
(CHEMBL1198335)
Show SMILES COc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1
Show InChI InChI=1/C20H22N4O2/c1-25-15-7-4-6-14(12-15)22-20-23-18-10-3-2-9-17(18)19(24-20)21-13-16-8-5-11-26-16/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H2,21,22,23,24)
PDB
MMDB

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.45E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


Eur J Med Chem 131: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.063
BindingDB Entry DOI: 10.7270/Q28G8NZC
More data for this
Ligand-Target Pair
PAK 1/CDC42


(Homo sapiens (Human))
BDBM50237832
PNG
(CHEMBL1198335)
Show SMILES COc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1
Show InChI InChI=1/C20H22N4O2/c1-25-15-7-4-6-14(12-15)22-20-23-18-10-3-2-9-17(18)19(24-20)21-13-16-8-5-11-26-16/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H2,21,22,23,24)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.84E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin)


J Med Chem 61: 265-285 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50237832
PNG
(CHEMBL1198335)
Show SMILES COc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1
Show InChI InChI=1/C20H22N4O2/c1-25-15-7-4-6-14(12-15)22-20-23-18-10-3-2-9-17(18)19(24-20)21-13-16-8-5-11-26-16/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H2,21,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.49E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin) using histone H3 as substrate


J Med Chem 61: 265-285 (2018)

More data for this
Ligand-Target Pair