BindingDB logo
myBDB logout

3 similar compounds to monomer 50330574

Compile data set for download or QSAR
Wt: 344.4
BDBM50330604
Wt: 372.4
BDBM50330580
Wt: 304.3
BDBM50330581

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50330604,50330580,50330581   
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 Nek2


(Homo sapiens (Human))
BDBM50330580
PNG
(1-(3-amino-6-(3-cyclopentylthiophen-2-yl)pyrazin-2...)
Show SMILES Nc1ncc(nc1N1CCC(CC1)C(O)=O)-c1sccc1C1CCCC1
Show InChI InChI=1S/C19H24N4O2S/c20-17-18(23-8-5-13(6-9-23)19(24)25)22-15(11-21-17)16-14(7-10-26-16)12-3-1-2-4-12/h7,10-13H,1-6,8-9H2,(H2,20,21)(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 by microfluidic assay


J Med Chem 53: 7682-98 (2010)


Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50330604
PNG
(1-(3-amino-6-(3-cyclopropylthiophen-2-yl)pyrazin-2...)
Show SMILES Nc1ncc(nc1N1CCC(CC1)C(O)=O)-c1sccc1C1CC1
Show InChI InChI=1S/C17H20N4O2S/c18-15-16(21-6-3-11(4-7-21)17(22)23)20-13(9-19-15)14-12(5-8-24-14)10-1-2-10/h5,8-11H,1-4,6-7H2,(H2,18,19)(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 by microfluidic assay


J Med Chem 53: 7682-98 (2010)


Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50330581
PNG
(1-(3-amino-6-(thiophen-2-yl)pyrazin-2-yl)piperidin...)
Show SMILES Nc1ncc(nc1N1CCC(CC1)C(O)=O)-c1cccs1
Show InChI InChI=1S/C14H16N4O2S/c15-12-13(18-5-3-9(4-6-18)14(19)20)17-10(8-16-12)11-2-1-7-21-11/h1-2,7-9H,3-6H2,(H2,15,16)(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 by microfluidic assay


J Med Chem 53: 7682-98 (2010)


Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79
More data for this
Ligand-Target Pair