BindingDB logo
myBDB logout

PubChem AID 1383

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
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))		BDBM32342
PNG
((2-amino-6-nitro-1,3-benzothiazol-7-yl)amine | 2,7...)
Show SMILES Nc1nc2ccc(c(N)c2s1)[N+]([O-])=O
Show InChI InChI=1S/C7H6N4O2S/c8-5-4(11(12)13)2-1-3-6(5)14-7(9)10-3/h1-2H,8H2,(H2,9,10)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PCBioAssay
n/an/a 410n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PCBioAssay
n/an/a 6.63E+3n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM32338
PNG
(4-amino-7-(3,4-dihydroxy-5-methylol-tetrahydrofura...)
Show SMILES NC(=O)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12
Show InChI InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars
PCBioAssay
n/an/a 1.21E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM32334
PNG
(7-hydroxy-2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-c...)
Show SMILES Oc1ccc2oc3c(CCCNC3=O)c2c1
Show InChI InChI=1S/C12H11NO3/c14-7-3-4-10-9(6-7)8-2-1-5-13-12(15)11(8)16-10/h3-4,6,14H,1-2,5H2,(H,13,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 1.67E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM32341
PNG
(5-(3-Chloro-phenyl)-furan-2-carboxylic acid (4-mor...)
Show SMILES Clc1cccc(c1)-c1ccc(o1)C(=O)Nc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C22H21ClN2O3/c23-18-3-1-2-17(14-18)20-8-9-21(28-20)22(26)24-19-6-4-16(5-7-19)15-25-10-12-27-13-11-25/h1-9,14H,10-13,15H2,(H,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
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
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM32333
PNG
((6Z)-6-[4-(3-aminopropylamino)-6-methyl-1H-pyrimid...)
Show SMILES Cc1cc(NCCCN)nc(n1)-c1ccccc1O
Show InChI InChI=1S/C14H18N4O/c1-10-9-13(16-8-4-7-15)18-14(17-10)11-5-2-3-6-12(11)19/h2-3,5-6,9,19H,4,7-8,15H2,1H3,(H,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
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
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM32337
PNG
(MLS000028832 | SMR000058536 | STAUROSPORINE | cid_...)
Show SMILES [H][C@]12C[C@H](NC)[C@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |TLB:13:12:11:6.3.2,19:35:11:6.3.2,THB:7:6:11:12.33.35.34,32:33:11:6.3.2,26:34:11:6.3.2|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20+,26-,28-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Patents

Similars
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
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM32339
PNG
(5-Bromo-furan-2-carboxylic acid [2-(4-methanesulfo...)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccccc1NC(=O)c1ccc(Br)o1
Show InChI InChI=1S/C16H18BrN3O4S/c1-25(22,23)20-10-8-19(9-11-20)13-5-3-2-4-12(13)18-16(21)14-6-7-15(17)24-14/h2-7H,8-11H2,1H3,(H,18,21)
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/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM32336
PNG
((5-acetyloxy-4-methyl-2-oxidanylidene-chromen-7-yl...)
Show SMILES CC(=O)Oc1cc(OC(C)=O)c2c(C)cc(=O)oc2c1
Show InChI InChI=1S/C14H12O6/c1-7-4-13(17)20-12-6-10(18-8(2)15)5-11(14(7)12)19-9(3)16/h4-6H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Similars
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
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM32343
PNG
((3,5-dichloro-4-pyridyl)-(4-pyridylmethyleneamino)...)
Show SMILES Clc1cncc(Cl)c1N=NCc1ccncc1 |w:8.8|
Show InChI InChI=1S/C11H8Cl2N4/c12-9-6-15-7-10(13)11(9)17-16-5-8-1-3-14-4-2-8/h1-4,6-7H,5H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
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
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM32340
PNG
(3-ethyl-6-methoxy-1H-benzo[de]cinnoline | MLS00053...)
Show SMILES CCc1n[nH]c2cccc3c(OC)ccc1c23
Show InChI InChI=1S/C14H14N2O/c1-3-11-9-7-8-13(17-2)10-5-4-6-12(14(9)10)16-15-11/h4-8,16H,3H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Similars
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
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM32335
PNG
(MLS000087884 | N-[2-(2-methylphenyl)-2,6-dihydro-4...)
Show SMILES CCC(=O)Nc1c2CSCc2nn1-c1ccccc1C
Show InChI InChI=1S/C15H17N3OS/c1-3-14(19)16-15-11-8-20-9-12(11)17-18(15)13-7-5-4-6-10(13)2/h4-7H,3,8-9H2,1-2H3,(H,16,19)
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/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%