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BDBM50385918 CHEMBL2042030

SMILES: CC(Oc1cc(ccc1C(N)=O)-c1nc(cnc1N)-c1cccc(CN(C)C)c1)c1ccccc1C(F)(F)F

InChI Key: InChIKey=QJRLRIHVMQQFHO-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50385918   
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 PLK1


(Homo sapiens (Human))
BDBM50385918
PNG
(CHEMBL2042030)
Show SMILES CC(Oc1cc(ccc1C(N)=O)-c1nc(cnc1N)-c1cccc(CN(C)C)c1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C29H28F3N5O2/c1-17(21-9-4-5-10-23(21)29(30,31)32)39-25-14-20(11-12-22(25)28(34)38)26-27(33)35-15-24(36-26)19-8-6-7-18(13-19)16-37(2)3/h4-15,17H,16H2,1-3H3,(H2,33,35)(H2,34,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.21E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of Plk1 using 5-FAMRRRAGALMDASFEEQ- CONH2 as substrate after 75 mins by caliper method


J Med Chem 55: 3228-41 (2012)


Article DOI: 10.1021/jm201683b
BindingDB Entry DOI: 10.7270/Q2Q81F4F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50385918
PNG
(CHEMBL2042030)
Show SMILES CC(Oc1cc(ccc1C(N)=O)-c1nc(cnc1N)-c1cccc(CN(C)C)c1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C29H28F3N5O2/c1-17(21-9-4-5-10-23(21)29(30,31)32)39-25-14-20(11-12-22(25)28(34)38)26-27(33)35-15-24(36-26)19-8-6-7-18(13-19)16-37(2)3/h4-15,17H,16H2,1-3H3,(H2,33,35)(H2,34,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.47E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method


J Med Chem 55: 3228-41 (2012)


Article DOI: 10.1021/jm201683b
BindingDB Entry DOI: 10.7270/Q2Q81F4F
More data for this
Ligand-Target Pair