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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 147.2
BDBM10995
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Wt: 146.1
BDBM27504
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Wt: 144.1
BDBM50091818
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Wt: 150.1
BDBM50208879
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Wt: 114.1
BDBM50339007
Wt: 126.1
BDBM50339008
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Wt: 123.1
BDBM50339009
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Wt: 149.1
BDBM50339010
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Wt: 133.1
BDBM50339013
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Wt: 146.1
BDBM50339015
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Wt: 147.1
BDBM50339016
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Wt: 149.1
BDBM50339019
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Wt: 145.1
BDBM50339020
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Wt: 150.1
BDBM50339021
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Wt: 150.1
BDBM50384063
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Displayed 1 to 15 (of 955 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 38 hits in this display   
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
Guanine deaminase


(Homo sapiens)
BDBM50208879
PNG
(2,6-diaminopurine | 9H-Purine-2,6-diamine0.5M H2SO...)
Show SMILES Nc1nc(N)c2[nH]cnc2n1
Show InChI InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)
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PubMed
1.88E+3n/an/an/an/an/an/an/an/a



The State University of New Jersey

Curated by ChEMBL


Assay Description
Inhibition of GDA by colorimetric assay


Bioorg Med Chem 18: 6748-55 (2010)


Article DOI: 10.1016/j.bmc.2010.07.054
BindingDB Entry DOI: 10.7270/Q25T3KPK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM27504
PNG
(4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...)
Show SMILES O=c1[nH]cnc2ccccc12
Show InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
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PubMed
1.05E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM27504
PNG
(4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...)
Show SMILES O=c1[nH]cnc2ccccc12
Show InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
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1.57E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM10995
PNG
((1R)-N-methyl-2,3-dihydro-1H-inden-1-amine | N-met...)
Show SMILES CN[C@@H]1CCc2ccccc12
Show InChI InChI=1S/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/m1/s1
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PubMed
1.70E+4 -27.2n/an/an/an/an/a7.525



University of Pavia



Assay Description
MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ...


J Med Chem 48: 8148-54 (2005)


Article DOI: 10.1021/jm0506266
BindingDB Entry DOI: 10.7270/Q2T151WC
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50091818
PNG
(CHEMBL61743 | Isoquinolin-3-ylamine | uPa_46)
Show SMILES Nc1cc2ccccc2cn1
Show InChI InChI=1S/C9H8N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H2,10,11)
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>3.00E+4>-25.8n/an/an/an/an/a7.425



CSAR



Assay Description
Abbott uPA__Urokinase Human - Ki(uM)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM50091818
PNG
(CHEMBL61743 | Isoquinolin-3-ylamine | uPa_46)
Show SMILES Nc1cc2ccccc2cn1
Show InChI InChI=1S/C9H8N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H2,10,11)
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>3.00E+4n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM10995
PNG
((1R)-N-methyl-2,3-dihydro-1H-inden-1-amine | N-met...)
Show SMILES CN[C@@H]1CCc2ccccc12
Show InChI InChI=1S/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/m1/s1
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PubMed
5.60E+4 -24.3n/an/an/an/an/a7.525



University of Pavia



Assay Description
MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ...


J Med Chem 48: 8148-54 (2005)


Article DOI: 10.1021/jm0506266
BindingDB Entry DOI: 10.7270/Q2T151WC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM27504
PNG
(4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...)
Show SMILES O=c1[nH]cnc2ccccc12
Show InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
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PubMed
>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM27504
PNG
(4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...)
Show SMILES O=c1[nH]cnc2ccccc12
Show InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM10995
PNG
((1R)-N-methyl-2,3-dihydro-1H-inden-1-amine | N-met...)
Show SMILES CN[C@@H]1CCc2ccccc12
Show InChI InChI=1S/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/m1/s1
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PubMed
n/an/a 200n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PDK1 (unknown origin) using PDKtide substrate and [gamma-32P]ATP by scintillation counting method


Bioorg Med Chem 22: 3781-90 (2014)


Article DOI: 10.1016/j.bmc.2014.04.037
BindingDB Entry DOI: 10.7270/Q2DB83HS
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM10995
PNG
((1R)-N-methyl-2,3-dihydro-1H-inden-1-amine | N-met...)
Show SMILES CN[C@@H]1CCc2ccccc12
Show InChI InChI=1S/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PDK1 (unknown origin) expressed in HEK293 cells using PDKtide as substrate after 10 mins by liquid scintillation counting in presence o...


Bioorg Med Chem 22: 3879-86 (2014)


Article DOI: 10.1016/j.bmc.2014.06.018
BindingDB Entry DOI: 10.7270/Q2DR2X53
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM27504
PNG
(4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...)
Show SMILES O=c1[nH]cnc2ccccc12
Show InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
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PubMed
n/an/a 5.75E+3n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using TACS-Sapphire substrate for 30 mins by colorimetry


Eur J Med Chem 50: 264-73 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.001
BindingDB Entry DOI: 10.7270/Q2FT8MGP
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM27504
PNG
(4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...)
Show SMILES O=c1[nH]cnc2ccccc12
Show InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
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n/an/a 5.89E+3n/an/an/an/a7.822



University of Konstanz



Assay Description
The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...


Mol Pharmacol 74: 1587-98 (2008)


Article DOI: 10.1124/mol.108.048751
BindingDB Entry DOI: 10.7270/Q2M61HKG
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM27504
PNG
(4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...)
Show SMILES O=c1[nH]cnc2ccccc12
Show InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
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PubMed
n/an/a 9.50E+3n/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
The compound was tested for poly(ADP-ribose)polymerase (PARP) inhibition


J Med Chem 44: 3786-94 (2001)


Article DOI: 10.1021/jm010116l
BindingDB Entry DOI: 10.7270/Q2B857DN
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM27504
PNG
(4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...)
Show SMILES O=c1[nH]cnc2ccccc12
Show InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
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PubMed
n/an/a 1.58E+4n/an/an/an/an/an/a



Johns Hopkins University Brain Science Institute

Curated by ChEMBL


Assay Description
Inhibition of PARP1


J Med Chem 53: 4561-84 (2010)


Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0
More data for this
Ligand-Target Pair
Poly (ADP-ribose) Polymerase-2 (PARP-2)


(Mus musculus (mouse))
BDBM27504
PNG
(4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...)
Show SMILES O=c1[nH]cnc2ccccc12
Show InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
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n/an/a 2.57E+4n/an/an/an/a7.822



University of Konstanz



Assay Description
The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...


Mol Pharmacol 74: 1587-98 (2008)


Article DOI: 10.1124/mol.108.048751
BindingDB Entry DOI: 10.7270/Q2M61HKG
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50339016
PNG
(3,4-dihydroisoquinolin-1(2H)-one | CHEMBL1688212)
Show SMILES O=C1NCCc2ccccc12
Show InChI InChI=1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Oregon Health& Science University

Curated by ChEMBL


Assay Description
Inhibition of PARP-10 (unknown origin) mediated ADP-ribosylation of SRPK2 by fluorescence analysis using 3 uM SRPK2 as a substrate


Bioorg Med Chem Lett 25: 4770-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.033
BindingDB Entry DOI: 10.7270/Q23R0VQW
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50091818
PNG
(CHEMBL61743 | Isoquinolin-3-ylamine | uPa_46)
Show SMILES Nc1cc2ccccc2cn1
Show InChI InChI=1S/C9H8N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H2,10,11)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against inducible nitric oxide synthase (iNOS)


Bioorg Med Chem Lett 10: 1975-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00389-9
BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50208879
PNG
(2,6-diaminopurine | 9H-Purine-2,6-diamine0.5M H2SO...)
Show SMILES Nc1nc(N)c2[nH]cnc2n1
Show InChI InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)
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n/an/a 5.08E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339010
PNG
(CHEMBL1688207 | N-methyl-1H-pyrazolo[3,4-d]pyrimid...)
Show SMILES CNc1ncnc2n[nH]cc12
Show InChI InChI=1S/C6H7N5/c1-7-5-4-2-10-11-6(4)9-3-8-5/h2-3H,1H3,(H2,7,8,9,10,11)
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n/an/a 9.08E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50339016
PNG
(3,4-dihydroisoquinolin-1(2H)-one | CHEMBL1688212)
Show SMILES O=C1NCCc2ccccc12
Show InChI InChI=1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Oregon Health& Science University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) by fluorescence analysis


Bioorg Med Chem Lett 25: 4770-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.033
BindingDB Entry DOI: 10.7270/Q23R0VQW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50208879
PNG
(2,6-diaminopurine | 9H-Purine-2,6-diamine0.5M H2SO...)
Show SMILES Nc1nc(N)c2[nH]cnc2n1
Show InChI InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of purified Cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis (precipitation at the higher concentra...


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50339016
PNG
(3,4-dihydroisoquinolin-1(2H)-one | CHEMBL1688212)
Show SMILES O=C1NCCc2ccccc12
Show InChI InChI=1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)
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n/an/a 1.29E+5n/an/an/an/an/an/a



Oregon Health& Science University

Curated by ChEMBL


Assay Description
Inhibition of PARP-10 L926G mutant (unknown origin) mediated ADP-ribosylation of SRPK2 by fluorescence analysis using 3 uM SRPK2 as a substrate


Bioorg Med Chem Lett 25: 4770-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.033
BindingDB Entry DOI: 10.7270/Q23R0VQW
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50339016
PNG
(3,4-dihydroisoquinolin-1(2H)-one | CHEMBL1688212)
Show SMILES O=C1NCCc2ccccc12
Show InChI InChI=1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)
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n/an/a 1.30E+5n/an/an/an/an/an/a



Oregon Health& Science University

Curated by ChEMBL


Assay Description
Inhibition of PARP-10 L926G mutant (unknown origin) mediated ADP-ribosylation of SRPK2 by fluorescence analysis using 3 uM SRPK2 as a substrate


Bioorg Med Chem Lett 25: 4770-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.033
BindingDB Entry DOI: 10.7270/Q23R0VQW
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339015
PNG
(CHEMBL1688211 | benzo[e][1,2,4]triazin-3-amine)
Show SMILES Nc1nnc2ccccc2n1
Show InChI InChI=1S/C7H6N4/c8-7-9-5-3-1-2-4-6(5)10-11-7/h1-4H,(H2,8,9,11)
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n/an/a 1.60E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339016
PNG
(3,4-dihydroisoquinolin-1(2H)-one | CHEMBL1688212)
Show SMILES O=C1NCCc2ccccc12
Show InChI InChI=1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)
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n/an/a 1.69E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339008
PNG
(4-amino-1H-pyrazole-3-carboxamide | CHEMBL1688205)
Show SMILES NC(=O)c1[nH]ncc1N
Show InChI InChI=1S/C4H6N4O/c5-2-1-7-8-3(2)4(6)9/h1H,5H2,(H2,6,9)(H,7,8)
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n/an/a 2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50208879
PNG
(2,6-diaminopurine | 9H-Purine-2,6-diamine0.5M H2SO...)
Show SMILES Nc1nc(N)c2[nH]cnc2n1
Show InChI InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Institute of Biological Chemistry and the Genomics Research Center

Curated by ChEMBL


Assay Description
Inhibition of human xanthine oxidase


Bioorg Med Chem 15: 3450-6 (2007)


Article DOI: 10.1016/j.bmc.2007.03.010
BindingDB Entry DOI: 10.7270/Q2WD407G
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339009
PNG
(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine ...)
Show SMILES C1CCn2cnnc2C1
Show InChI InChI=1S/C6H9N3/c1-2-4-9-5-7-8-6(9)3-1/h5H,1-4H2
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n/an/a 2.44E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339013
PNG
(1H-indazol-3-amine | CHEMBL1331627)
Show SMILES Nc1[nH]nc2ccccc12
Show InChI InChI=1S/C7H7N3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H3,8,9,10)
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n/an/a 3.11E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339019
PNG
(5-(furan-2-yl)-1H-pyrazol-3-amine | CHEMBL1688214)
Show SMILES Nc1cc(n[nH]1)-c1ccco1
Show InChI InChI=1S/C7H7N3O/c8-7-4-5(9-10-7)6-2-1-3-11-6/h1-4H,(H3,8,9,10)
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n/an/a 3.13E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339020
PNG
(4-(1H-Pyrazol-3-yl)-pyridine | 4-(1H-pyrazol-3-yl)...)
Show SMILES c1cc(n[nH]1)-c1ccncc1
Show InChI InChI=1S/C8H7N3/c1-4-9-5-2-7(1)8-3-6-10-11-8/h1-6H,(H,10,11)
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n/an/a 3.26E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339021
PNG
(6-methoxy-9H-purine | CHEMBL305107)
Show SMILES COc1ncnc2nc[nH]c12
Show InChI InChI=1S/C6H6N4O/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)
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n/an/a 3.40E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339007
PNG
(3-(hydroxymethyl)-1H-pyrazol-5-ol | CHEMBL1688204)
Show SMILES OCc1cc(=O)[nH][nH]1
Show InChI InChI=1S/C4H6N2O2/c7-2-3-1-4(8)6-5-3/h1,7H,2H2,(H2,5,6,8)
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n/an/a 3.44E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM27504
PNG
(4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...)
Show SMILES O=c1[nH]cnc2ccccc12
Show InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
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n/an/a 3.45E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50091818
PNG
(CHEMBL61743 | Isoquinolin-3-ylamine | uPa_46)
Show SMILES Nc1cc2ccccc2cn1
Show InChI InChI=1S/C9H8N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H2,10,11)
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n/an/a 3.76E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50384063
PNG
(CHEMBL2029512)
Show SMILES Cc1n[nH]c(=O)c2nc[nH]c12
Show InChI InChI=1S/C6H6N4O/c1-3-4-5(8-2-7-4)6(11)10-9-3/h2H,1H3,(H,7,8)(H,10,11)
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n/an/a 4.72E+5n/an/an/an/an/an/a



S*BIO PTE LTD

Curated by ChEMBL


Assay Description
Competitive inhibition of PDK1 using [gamma-33P]-ATP as substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 22: 4023-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.080
BindingDB Entry DOI: 10.7270/Q2XD12QR
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Mycobacterium tuberculosis)
BDBM27504
PNG
(4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...)
Show SMILES O=c1[nH]cnc2ccccc12
Show InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
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n/an/an/a 3.16E+5n/an/an/an/an/a



Pontif£cia Universidade Cat£lica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis


Bioorg Med Chem 18: 4769-74 (2011)


Article DOI: 10.1016/j.bmc.2010.05.009
BindingDB Entry DOI: 10.7270/Q2TQ62T5
More data for this
Ligand-Target Pair