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SMILES: C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CN2CCC(F)CC2)cc1Cl

InChI Key: InChIKey=JVKDICNPGGXTEU-MRXNPFEDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50297977   
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))
BDBM50297977
PNG
((R)-3-(1-(2-chloro-4-((4-fluoropiperidin-1-yl)meth...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CN2CCC(F)CC2)cc1Cl |r|
Show InChI InChI=1S/C26H26ClFN4O2S/c1-16(19-6-5-17(12-20(19)27)15-31-10-7-18(28)8-11-31)34-22-13-23(35-25(22)26(29)33)21-14-30-24-4-2-3-9-32(21)24/h2-6,9,12-14,16,18H,7-8,10-11,15H2,1H3,(H2,29,33)/t16-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297977
PNG
((R)-3-(1-(2-chloro-4-((4-fluoropiperidin-1-yl)meth...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CN2CCC(F)CC2)cc1Cl |r|
Show InChI InChI=1S/C26H26ClFN4O2S/c1-16(19-6-5-17(12-20(19)27)15-31-10-7-18(28)8-11-31)34-22-13-23(35-25(22)26(29)33)21-14-30-24-4-2-3-9-32(21)24/h2-6,9,12-14,16,18H,7-8,10-11,15H2,1H3,(H2,29,33)/t16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 4.00E+5n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1-mediated mitosis in human HeLaS3 cells after 18 hrs


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair