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BDBM50343560 1-(2-aminoethyl)-8-(5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide::CHEMBL1774337

SMILES: CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCN)c4-c3n2)C(N)=O)c1

InChI Key: InChIKey=FNVWTCCOPVJPNB-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50343560   
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))
BDBM50343560
PNG
(1-(2-aminoethyl)-8-(5-(4-methylpiperazin-1-yl)-2-(...)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCN)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C24H28F3N9O2/c1-34-8-10-35(11-9-34)15-3-5-18(38-24(25,26)27)17(12-15)31-23-30-13-14-2-4-16-20(22(29)37)33-36(7-6-28)21(16)19(14)32-23/h3,5,12-13H,2,4,6-11,28H2,1H3,(H2,29,37)(H,30,31,32)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting


Bioorg Med Chem Lett 21: 2969-74 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.054
BindingDB Entry DOI: 10.7270/Q27M088W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50343560
PNG
(1-(2-aminoethyl)-8-(5-(4-methylpiperazin-1-yl)-2-(...)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCN)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C24H28F3N9O2/c1-34-8-10-35(11-9-34)15-3-5-18(38-24(25,26)27)17(12-15)31-23-30-13-14-2-4-16-20(22(29)37)33-36(7-6-28)21(16)19(14)32-23/h3,5,12-13H,2,4,6-11,28H2,1H3,(H2,29,37)(H,30,31,32)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK3 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting


Bioorg Med Chem Lett 21: 2969-74 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.054
BindingDB Entry DOI: 10.7270/Q27M088W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50343560
PNG
(1-(2-aminoethyl)-8-(5-(4-methylpiperazin-1-yl)-2-(...)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCN)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C24H28F3N9O2/c1-34-8-10-35(11-9-34)15-3-5-18(38-24(25,26)27)17(12-15)31-23-30-13-14-2-4-16-20(22(29)37)33-36(7-6-28)21(16)19(14)32-23/h3,5,12-13H,2,4,6-11,28H2,1H3,(H2,29,37)(H,30,31,32)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting


Bioorg Med Chem Lett 21: 2969-74 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.054
BindingDB Entry DOI: 10.7270/Q27M088W
More data for this
Ligand-Target Pair