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BDBM50285580 CHEMBL4163892

SMILES: CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC

InChI Key: InChIKey=TWYRQXNMQMYEGC-GOSISDBHSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50285580   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50285580
PNG
(CHEMBL4163892)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC
Show InChI InChI=1S/C24H28N6O2/c1-4-18-23(32)28(3)20-14-26-24(27-21(20)30(18)17-7-5-6-8-17)29-12-11-15-13-16(22(31)25-2)9-10-19(15)29/h9-14,17-18H,4-8H2,1-3H3,(H,25,31)/t18-/m1/s1
PDB
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 94n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50285580
PNG
(CHEMBL4163892)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC
Show InChI InChI=1S/C24H28N6O2/c1-4-18-23(32)28(3)20-14-26-24(27-21(20)30(18)17-7-5-6-8-17)29-12-11-15-13-16(22(31)25-2)9-10-19(15)29/h9-14,17-18H,4-8H2,1-3H3,(H,25,31)/t18-/m1/s1
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antibodypedia
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Article
PubMed
n/an/a 7.15E+3n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant GST-tagged Plk3 catalytic domain (58 to 340 residues) expressed in baculovirus expression system after 1 hr by FRET-base...


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285580
PNG
(CHEMBL4163892)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC
Show InChI InChI=1S/C24H28N6O2/c1-4-18-23(32)28(3)20-14-26-24(27-21(20)30(18)17-7-5-6-8-17)29-12-11-15-13-16(22(31)25-2)9-10-19(15)29/h9-14,17-18H,4-8H2,1-3H3,(H,25,31)/t18-/m1/s1
PDB

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UniProtKB/TrEMBL

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.60n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair