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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase PLK1' and Ligand = 'BDBM41837'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM41837
PNG
(2-furanyl-[4-(9-methyl-5H-pyrimido[5,4-b]indol-4-y...)
Show SMILES Cc1cccc2[nH]c3c(ncnc3c12)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C20H19N5O2/c1-13-4-2-5-14-16(13)17-18(23-14)19(22-12-21-17)24-7-9-25(10-8-24)20(26)15-6-3-11-27-15/h2-6,11-12,23H,7-10H2,1H3
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PC cid
PC sid
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PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM41837
PNG
(2-furanyl-[4-(9-methyl-5H-pyrimido[5,4-b]indol-4-y...)
Show SMILES Cc1cccc2[nH]c3c(ncnc3c12)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C20H19N5O2/c1-13-4-2-5-14-16(13)17-18(23-14)19(22-12-21-17)24-7-9-25(10-8-24)20(26)15-6-3-11-27-15/h2-6,11-12,23H,7-10H2,1H3
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.00E+4n/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2N58JS6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM41837
PNG
(2-furanyl-[4-(9-methyl-5H-pyrimido[5,4-b]indol-4-y...)
Show SMILES Cc1cccc2[nH]c3c(ncnc3c12)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C20H19N5O2/c1-13-4-2-5-14-16(13)17-18(23-14)19(22-12-21-17)24-7-9-25(10-8-24)20(26)15-6-3-11-27-15/h2-6,11-12,23H,7-10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.00E+4n/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z036KJ
More data for this
Ligand-Target Pair