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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'deady' and Initial = 'lw'   
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
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 |r|
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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Article
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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
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 |r|
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) 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))
BDBM50049555
PNG
(CHEMBL3311455)
Show SMILES COc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2[nH]ccc12
Show InChI InChI=1S/C18H20N6O2/c1-26-16-14-7-8-19-15(14)22-17(23-16)20-12-5-4-6-13(11-12)21-18(25)24-9-2-3-10-24/h4-8,11H,2-3,9-10H2,1H3,(H,21,25)(H2,19,20,22,23)
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n/an/a 1.20E+3n/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
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM50049556
PNG
(CHEMBL3311451)
Show SMILES COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2[nH]ccc12
Show InChI InChI=1S/C24H24N6O2/c1-32-19-9-7-16(8-10-19)21-20-11-12-25-22(20)29-23(28-21)26-17-5-4-6-18(15-17)27-24(31)30-13-2-3-14-30/h4-12,15H,2-3,13-14H2,1H3,(H,27,31)(H2,25,26,28,29)
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n/an/a 4.90E+3n/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
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM22985
PNG
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
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n/an/a 7.50E+4n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of beta-hematin formation in Plasmodium falciparum


Bioorg Med Chem Lett 11: 2075-7 (2001)


BindingDB Entry DOI: 10.7270/Q2SB46X9
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50102930
PNG
(CHEMBL66482 | N*4*-(2-{12-[4-(4-Diethylamino-1-met...)
Show SMILES CCN(CC)CCCC(C)Nc1cc(CCCCCCCCCCCCc2cc(NC(C)CCCN(CC)CC)c3ccccc3n2)nc2ccccc12
Show InChI InChI=1S/C48H76N6/c1-7-53(8-2)35-25-27-39(5)49-47-37-41(51-45-33-23-21-31-43(45)47)29-19-17-15-13-11-12-14-16-18-20-30-42-38-48(44-32-22-24-34-46(44)52-42)50-40(6)28-26-36-54(9-3)10-4/h21-24,31-34,37-40H,7-20,25-30,35-36H2,1-6H3,(H,49,51)(H,50,52)
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n/an/a 8.60E+4n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of beta-hematin formation in Plasmodium falciparum


Bioorg Med Chem Lett 11: 2075-7 (2001)


BindingDB Entry DOI: 10.7270/Q2SB46X9
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50102931
PNG
(CHEMBL65735 | N*4*-(2-{10-[4-(4-Diethylamino-1-met...)
Show SMILES CCN(CC)CCCC(C)Nc1cc(CCCCCCCCCCc2cc(NC(C)CCCN(CC)CC)c3ccccc3n2)nc2ccccc12
Show InChI InChI=1S/C46H72N6/c1-7-51(8-2)33-23-25-37(5)47-45-35-39(49-43-31-21-19-29-41(43)45)27-17-15-13-11-12-14-16-18-28-40-36-46(42-30-20-22-32-44(42)50-40)48-38(6)26-24-34-52(9-3)10-4/h19-22,29-32,35-38H,7-18,23-28,33-34H2,1-6H3,(H,47,49)(H,48,50)
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n/an/a 9.40E+4n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of beta-hematin formation in Plasmodium falciparum


Bioorg Med Chem Lett 11: 2075-7 (2001)


BindingDB Entry DOI: 10.7270/Q2SB46X9
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50102932
PNG
(CHEMBL62603 | N*4*-(2-{8-[4-(4-Diethylamino-1-meth...)
Show SMILES CCN(CC)CCCC(C)Nc1cc(CCCCCCCCc2cc(NC(C)CCCN(CC)CC)c3ccccc3n2)nc2ccccc12
Show InChI InChI=1S/C44H68N6/c1-7-49(8-2)31-21-23-35(5)45-43-33-37(47-41-29-19-17-27-39(41)43)25-15-13-11-12-14-16-26-38-34-44(40-28-18-20-30-42(40)48-38)46-36(6)24-22-32-50(9-3)10-4/h17-20,27-30,33-36H,7-16,21-26,31-32H2,1-6H3,(H,45,47)(H,46,48)
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n/an/a 9.70E+4n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of beta-hematin formation in Plasmodium falciparum


Bioorg Med Chem Lett 11: 2075-7 (2001)


BindingDB Entry DOI: 10.7270/Q2SB46X9
More data for this
Ligand-Target Pair