BindingDB logo
myBDB logout

null

SMILES: C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CN2CCNC(=O)C2)cc1Cl

InChI Key: InChIKey=KDBHWYQEQOHRMN-OAHLLOKOSA-N

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 = 50297981   
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))
BDBM50297981
PNG
((R)-3-(1-(2-chloro-4-((3-oxopiperazin-1-yl)methyl)...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CN2CCNC(=O)C2)cc1Cl |r|
Show InChI InChI=1S/C25H24ClN5O3S/c1-15(17-6-5-16(10-18(17)26)13-30-9-7-28-23(32)14-30)34-20-11-21(35-24(20)25(27)33)19-12-29-22-4-2-3-8-31(19)22/h2-6,8,10-12,15H,7,9,13-14H2,1H3,(H2,27,33)(H,28,32)/t15-/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/a 12n/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))
BDBM50297981
PNG
((R)-3-(1-(2-chloro-4-((3-oxopiperazin-1-yl)methyl)...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CN2CCNC(=O)C2)cc1Cl |r|
Show InChI InChI=1S/C25H24ClN5O3S/c1-15(17-6-5-16(10-18(17)26)13-30-9-7-28-23(32)14-30)34-20-11-21(35-24(20)25(27)33)19-12-29-22-4-2-3-8-31(19)22/h2-6,8,10-12,15H,7,9,13-14H2,1H3,(H2,27,33)(H,28,32)/t15-/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 1.70E+6n/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