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Compile Data Set for Download or QSAR

Found 120 hits with Last Name = 'knöchel' and Initial = 't'   
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
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50483552
PNG
(LERSIVIRINE | Lersivirine | UK-453061)
Show SMILES CCc1nn(CCO)c(CC)c1Oc1cc(cc(c1)C#N)C#N
Show InChI InChI=1S/C17H18N4O2/c1-3-15-17(16(4-2)21(20-15)5-6-22)23-14-8-12(10-18)7-13(9-14)11-19/h7-9,22H,3-6H2,1-2H3
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 117n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Mixed non-competitive inhibition of HIV1 reverse transcriptase activity

Antimicrob Agents Chemother 54: 4451-63 (2010)


BindingDB Entry DOI: 10.7270/Q2WQ06MG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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n/an/a 7.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase activity by primer extension assay

Antimicrob Agents Chemother 54: 4451-63 (2010)


BindingDB Entry DOI: 10.7270/Q2WQ06MG
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178285
PNG
(CHEMBL3813865)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C16H15N7/c1-2-11-4-14(23-16(17)22-11)13-8-19-15-12(13)3-9(5-18-15)10-6-20-21-7-10/h3-8H,2H2,1H3,(H,18,19)(H,20,21)(H2,17,22,23)
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n/an/a 13n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50234032
PNG
(CHEMBL4060668)
Show SMILES C(Oc1cncc2ccccc12)[C@H]1CCCN1c1ccnc2ncnn12
Show InChI InChI=1S/C19H18N6O/c1-2-6-16-14(4-1)10-20-11-17(16)26-12-15-5-3-9-24(15)18-7-8-21-19-22-13-23-25(18)19/h1-2,4,6-8,10-11,13,15H,3,5,9,12H2/t15-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...

Bioorg Med Chem Lett 27: 551-556 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.019
BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM17053
PNG
(BX-320 | N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcar...)
Show SMILES CC(C)(C(N)=O)C(=O)NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1Br
Show InChI InChI=1S/C23H31BrN8O3/c1-23(2,19(25)33)20(34)27-10-6-9-26-18-17(24)14-28-21(31-18)29-15-7-5-8-16(13-15)30-22(35)32-11-3-4-12-32/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3,(H2,25,33)(H,27,34)(H,30,35)(H2,26,28,29,31)
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n/an/a 39n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDK1 assessed as PtdIns-3,4-P2-mediated AKT2 activation using biotin-ARRRDGGGAQPFRPRAATF as substrate after 2 hrs by ...

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178291
PNG
(CHEMBL3814140)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C21H24N8/c1-2-15-8-19(28-21(22)27-15)18-11-25-20-17(18)7-13(9-24-20)14-10-26-29(12-14)16-3-5-23-6-4-16/h7-12,16,23H,2-6H2,1H3,(H,24,25)(H2,22,27,28)
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n/an/a 58n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178290
PNG
(CHEMBL3814770)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(CCN(C)C)c1
Show InChI InChI=1S/C20H24N8/c1-4-15-8-18(26-20(21)25-15)17-11-23-19-16(17)7-13(9-22-19)14-10-24-28(12-14)6-5-27(2)3/h7-12H,4-6H2,1-3H3,(H,22,23)(H2,21,25,26)
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n/an/a 82n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178293
PNG
(CHEMBL3815046)
Show SMILES CCCCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C23H28N8/c1-2-3-4-17-10-21(30-23(24)29-17)20-13-27-22-19(20)9-15(11-26-22)16-12-28-31(14-16)18-5-7-25-8-6-18/h9-14,18,25H,2-8H2,1H3,(H,26,27)(H2,24,29,30)
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n/an/a 84n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178287
PNG
(CHEMBL3814785)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C17H17N7/c1-3-12-5-15(23-17(18)22-12)14-8-20-16-13(14)4-10(6-19-16)11-7-21-24(2)9-11/h4-9H,3H2,1-2H3,(H,19,20)(H2,18,22,23)
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n/an/a 85n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178292
PNG
(CHEMBL3813933)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(CC(C)C)c1
Show InChI InChI=1S/C20H23N7/c1-4-15-6-18(26-20(21)25-15)17-9-23-19-16(17)5-13(7-22-19)14-8-24-27(11-14)10-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H,22,23)(H2,21,25,26)
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n/an/a 110n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50234031
PNG
(CHEMBL4082542)
Show SMILES C(Oc1cccc2ccccc12)[C@H]1CCCN1c1ccnc2ncnn12
Show InChI InChI=1S/C20H19N5O/c1-2-8-17-15(5-1)6-3-9-18(17)26-13-16-7-4-12-24(16)19-10-11-21-20-22-14-23-25(19)20/h1-3,5-6,8-11,14,16H,4,7,12-13H2/t16-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...

Bioorg Med Chem Lett 27: 551-556 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.019
BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50483552
PNG
(LERSIVIRINE | Lersivirine | UK-453061)
Show SMILES CCc1nn(CCO)c(CC)c1Oc1cc(cc(c1)C#N)C#N
Show InChI InChI=1S/C17H18N4O2/c1-3-15-17(16(4-2)21(20-15)5-6-22)23-14-8-12(10-18)7-13(9-14)11-19/h7-9,22H,3-6H2,1-2H3
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n/an/a 118n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase activity by primer extension assay

Antimicrob Agents Chemother 54: 4451-63 (2010)


BindingDB Entry DOI: 10.7270/Q2WQ06MG
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178284
PNG
(CHEMBL3814317)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccco1
Show InChI InChI=1S/C17H15N5O/c1-2-11-7-14(22-17(18)21-11)13-9-20-16-12(13)6-10(8-19-16)15-4-3-5-23-15/h3-9H,2H2,1H3,(H,19,20)(H2,18,21,22)
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n/an/a 120n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178283
PNG
(CHEMBL3814154)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccc(N)nc1
Show InChI InChI=1S/C18H17N7/c1-2-12-6-15(25-18(20)24-12)14-9-23-17-13(14)5-11(8-22-17)10-3-4-16(19)21-7-10/h3-9H,2H2,1H3,(H2,19,21)(H,22,23)(H2,20,24,25)
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n/an/a 170n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)		BDBM50483552
PNG
(LERSIVIRINE | Lersivirine | UK-453061)
Show SMILES CCc1nn(CCO)c(CC)c1Oc1cc(cc(c1)C#N)C#N
Show InChI InChI=1S/C17H18N4O2/c1-3-15-17(16(4-2)21(20-15)5-6-22)23-14-8-12(10-18)7-13(9-14)11-19/h7-9,22H,3-6H2,1-2H3
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n/an/a 215n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 HXB2 reverse transcriptase K103N mutant activity by primer extension assay

Antimicrob Agents Chemother 54: 4451-63 (2010)


BindingDB Entry DOI: 10.7270/Q2WQ06MG
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50234025
PNG
(CHEMBL4093791)
Show SMILES C(Oc1cccc2cnccc12)[C@H]1CCCN1c1ncnc2[nH]cnc12
Show InChI InChI=1S/C19H18N6O/c1-3-13-9-20-7-6-15(13)16(5-1)26-10-14-4-2-8-25(14)19-17-18(22-11-21-17)23-12-24-19/h1,3,5-7,9,11-12,14H,2,4,8,10H2,(H,21,22,23,24)/t14-/m1/s1
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n/an/a 230n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...

Bioorg Med Chem Lett 27: 551-556 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.019
BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178286
PNG
(CHEMBL3814539)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccn[nH]1
Show InChI InChI=1S/C16H15N7/c1-2-10-6-14(22-16(17)21-10)12-8-19-15-11(12)5-9(7-18-15)13-3-4-20-23-13/h3-8H,2H2,1H3,(H,18,19)(H,20,23)(H2,17,21,22)
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n/an/a 260n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178277
PNG
(CHEMBL3814554)
Show SMILES NCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C14H16N6/c15-5-1-3-9-7-12(20-14(16)19-9)11-8-18-13-10(11)4-2-6-17-13/h2,4,6-8H,1,3,5,15H2,(H,17,18)(H2,16,19,20)
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n/an/a 390n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)		BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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n/an/a 414n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 HXB2 reverse transcriptase K103N mutant activity by primer extension assay

Antimicrob Agents Chemother 54: 4451-63 (2010)


BindingDB Entry DOI: 10.7270/Q2WQ06MG
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50234035
PNG
(CHEMBL4070008)
Show SMILES C(Oc1cccc2ccccc12)[C@H]1CCCN1c1ncnc2[nH]cnc12
Show InChI InChI=1S/C20H19N5O/c1-2-8-16-14(5-1)6-3-9-17(16)26-11-15-7-4-10-25(15)20-18-19(22-12-21-18)23-13-24-20/h1-3,5-6,8-9,12-13,15H,4,7,10-11H2,(H,21,22,23,24)/t15-/m1/s1
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n/an/a 450n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...

Bioorg Med Chem Lett 27: 551-556 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.019
BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178282
PNG
(CHEMBL3813886)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccncc1
Show InChI InChI=1S/C18H16N6/c1-2-13-8-16(24-18(19)23-13)15-10-22-17-14(15)7-12(9-21-17)11-3-5-20-6-4-11/h3-10H,2H2,1H3,(H,21,22)(H2,19,23,24)
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n/an/a 450n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178279
PNG
(CHEMBL3814704)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(Br)cc12
Show InChI InChI=1S/C13H12BrN5/c1-2-8-4-11(19-13(15)18-8)10-6-17-12-9(10)3-7(14)5-16-12/h3-6H,2H2,1H3,(H,16,17)(H2,15,18,19)
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n/an/a 480n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178281
PNG
(CHEMBL3814357)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cccnc1
Show InChI InChI=1S/C18H16N6/c1-2-13-7-16(24-18(19)23-13)15-10-22-17-14(15)6-12(9-21-17)11-4-3-5-20-8-11/h3-10H,2H2,1H3,(H,21,22)(H2,19,23,24)
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n/an/a 500n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50234037
PNG
(CHEMBL4083510)
Show SMILES C(Oc1cccc2ccccc12)[C@H]1CCCN1c1ccnc2nccn12
Show InChI InChI=1S/C21H20N4O/c1-2-8-18-16(5-1)6-3-9-19(18)26-15-17-7-4-13-24(17)20-10-11-22-21-23-12-14-25(20)21/h1-3,5-6,8-12,14,17H,4,7,13,15H2/t17-/m1/s1
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n/an/a 560n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...

Bioorg Med Chem Lett 27: 551-556 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.019
BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50234024
PNG
(CHEMBL4097198)
Show SMILES Cc1ccccc1OC[C@H]1CCCN1c1ncnc2[nH]cnc12
Show InChI InChI=1S/C17H19N5O/c1-12-5-2-3-7-14(12)23-9-13-6-4-8-22(13)17-15-16(19-10-18-15)20-11-21-17/h2-3,5,7,10-11,13H,4,6,8-9H2,1H3,(H,18,19,20,21)/t13-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...

Bioorg Med Chem Lett 27: 551-556 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.019
BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178278
PNG
(CHEMBL3813908)
Show SMILES NCCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C15H18N6/c16-6-2-1-4-10-8-13(21-15(17)20-10)12-9-19-14-11(12)5-3-7-18-14/h3,5,7-9H,1-2,4,6,16H2,(H,18,19)(H2,17,20,21)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50234033
PNG
(CHEMBL4078213)
Show SMILES Clc1ccccc1OC[C@H]1CCCN1c1ncnc2[nH]cnc12
Show InChI InChI=1S/C16H16ClN5O/c17-12-5-1-2-6-13(12)23-8-11-4-3-7-22(11)16-14-15(19-9-18-14)20-10-21-16/h1-2,5-6,9-11H,3-4,7-8H2,(H,18,19,20,21)/t11-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...

Bioorg Med Chem Lett 27: 551-556 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.019
BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178294
PNG
(CHEMBL3814340)
Show SMILES CCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C15H17N5/c1-2-3-5-10-8-13(20-15(16)19-10)12-9-18-14-11(12)6-4-7-17-14/h4,6-9H,2-3,5H2,1H3,(H,17,18)(H2,16,19,20)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178298
PNG
(CHEMBL3799935)
Show SMILES Nc1ncc(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C18H14N4/c19-17-14(18-21-15-8-4-5-9-16(15)22-18)10-13(11-20-17)12-6-2-1-3-7-12/h1-11H,(H2,19,20)(H,21,22)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178262
PNG
(CHEMBL3814391)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C13H13N5/c1-2-8-6-11(18-13(14)17-8)10-7-16-12-9(10)4-3-5-15-12/h3-7H,2H2,1H3,(H,15,16)(H2,14,17,18)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50234022
PNG
(CHEMBL4066295)
Show SMILES N#Cc1ccc(OC[C@H]2CCCN2c2ncnc3[nH]cnc23)cc1
Show InChI InChI=1S/C17H16N6O/c18-8-12-3-5-14(6-4-12)24-9-13-2-1-7-23(13)17-15-16(20-10-19-15)21-11-22-17/h3-6,10-11,13H,1-2,7,9H2,(H,19,20,21,22)/t13-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...

Bioorg Med Chem Lett 27: 551-556 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.019
BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50234020
PNG
(CHEMBL4101592)
Show SMILES Fc1cccc(OC[C@H]2CCCN2c2ncnc3[nH]cnc23)c1F
Show InChI InChI=1S/C16H15F2N5O/c17-11-4-1-5-12(13(11)18)24-7-10-3-2-6-23(10)16-14-15(20-8-19-14)21-9-22-16/h1,4-5,8-10H,2-3,6-7H2,(H,19,20,21,22)/t10-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...

Bioorg Med Chem Lett 27: 551-556 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.019
BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178263
PNG
(CHEMBL3814350)
Show SMILES CCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C14H15N5/c1-2-4-9-7-12(19-14(15)18-9)11-8-17-13-10(11)5-3-6-16-13/h3,5-8H,2,4H2,1H3,(H,16,17)(H2,15,18,19)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50234030
PNG
(CHEMBL4101510)
Show SMILES C(Oc1cccc2ccccc12)[C@H]1CCCN1c1ncnc2ncnn12
Show InChI InChI=1S/C19H18N6O/c1-2-8-16-14(5-1)6-3-9-17(16)26-11-15-7-4-10-24(15)19-22-12-20-18-21-13-23-25(18)19/h1-3,5-6,8-9,12-13,15H,4,7,10-11H2/t15-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...

Bioorg Med Chem Lett 27: 551-556 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.019
BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50234021
PNG
(CHEMBL4074903)
Show SMILES Fc1cccc(OC[C@H]2CCCN2c2ncnc3[nH]cnc23)c1
Show InChI InChI=1S/C16H16FN5O/c17-11-3-1-5-13(7-11)23-8-12-4-2-6-22(12)16-14-15(19-9-18-14)20-10-21-16/h1,3,5,7,9-10,12H,2,4,6,8H2,(H,18,19,20,21)/t12-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...

Bioorg Med Chem Lett 27: 551-556 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.019
BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178264
PNG
(CHEMBL3814929)
Show SMILES CCCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C16H19N5/c1-2-3-4-6-11-9-14(21-16(17)20-11)13-10-19-15-12(13)7-5-8-18-15/h5,7-10H,2-4,6H2,1H3,(H,18,19)(H2,17,20,21)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50234027
PNG
(CHEMBL4086033)
Show SMILES Clc1ccccc1OC[C@H]1CCCN1c1ccnc2[nH]cnc12
Show InChI InChI=1S/C17H17ClN4O/c18-13-5-1-2-6-15(13)23-10-12-4-3-9-22(12)14-7-8-19-17-16(14)20-11-21-17/h1-2,5-8,11-12H,3-4,9-10H2,(H,19,20,21)/t12-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...

Bioorg Med Chem Lett 27: 551-556 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.019
BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178293
PNG
(CHEMBL3815046)
Show SMILES CCCCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C23H28N8/c1-2-3-4-17-10-21(30-23(24)29-17)20-13-27-22-19(20)9-15(11-26-22)16-12-28-31(14-16)18-5-7-25-8-6-18/h9-14,18,25H,2-8H2,1H3,(H,26,27)(H2,24,29,30)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of PDK1 in human PC3 cells assessed as reduction in AKT Thr308 phosphorylation after 45 mins

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178288
PNG
(CHEMBL3813849)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccnn1C
Show InChI InChI=1S/C17H17N7/c1-3-11-7-14(23-17(18)22-11)13-9-20-16-12(13)6-10(8-19-16)15-4-5-21-24(15)2/h4-9H,3H2,1-2H3,(H,19,20)(H2,18,22,23)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178289
PNG
(CHEMBL3814343)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1c(C)nn(C)c1C
Show InChI InChI=1S/C19H21N7/c1-5-13-7-16(24-19(20)23-13)15-9-22-18-14(15)6-12(8-21-18)17-10(2)25-26(4)11(17)3/h6-9H,5H2,1-4H3,(H,21,22)(H2,20,23,24)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50234028
PNG
(CHEMBL4063448)
Show SMILES Clc1ccccc1OC[C@H]1CCCN1c1ccnc2nsnc12
Show InChI InChI=1S/C16H15ClN4OS/c17-12-5-1-2-6-14(12)22-10-11-4-3-9-21(11)13-7-8-18-16-15(13)19-23-20-16/h1-2,5-8,11H,3-4,9-10H2/t11-/m1/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...

Bioorg Med Chem Lett 27: 551-556 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.019
BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178280
PNG
(CHEMBL3813962)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C19H17N5/c1-2-14-9-17(24-19(20)23-14)16-11-22-18-15(16)8-13(10-21-18)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,21,22)(H2,20,23,24)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50234034
PNG
(CHEMBL4093860)
Show SMILES Fc1ccc(OC[C@H]2CCCN2c2ncnc3[nH]cnc23)cc1
Show InChI InChI=1S/C16H16FN5O/c17-11-3-5-13(6-4-11)23-8-12-2-1-7-22(12)16-14-15(19-9-18-14)20-10-21-16/h3-6,9-10,12H,1-2,7-8H2,(H,18,19,20,21)/t12-/m1/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...

Bioorg Med Chem Lett 27: 551-556 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.019
BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50178290
PNG
(CHEMBL3814770)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(CCN(C)C)c1
Show InChI InChI=1S/C20H24N8/c1-4-15-8-18(26-20(21)25-15)17-11-23-19-16(17)7-13(9-22-19)14-10-24-28(12-14)6-5-27(2)3/h7-12H,4-6H2,1-3H3,(H,22,23)(H2,21,25,26)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin)

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))		BDBM50178293
PNG
(CHEMBL3815046)
Show SMILES CCCCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C23H28N8/c1-2-3-4-17-10-21(30-23(24)29-17)20-13-27-22-19(20)9-15(11-26-22)16-12-28-31(14-16)18-5-7-25-8-6-18/h9-14,18,25H,2-8H2,1H3,(H,26,27)(H2,24,29,30)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of PI3K delta (unknown origin)

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50178292
PNG
(CHEMBL3813933)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(CC(C)C)c1
Show InChI InChI=1S/C20H23N7/c1-4-15-6-18(26-20(21)25-15)17-9-23-19-16(17)5-13(7-22-19)14-8-24-27(11-14)10-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H,22,23)(H2,21,25,26)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin)

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM10838
PNG
(3-(2-aminopyrimidin-4-yl)-1H-indol-4-ol | Meridian...)
Show SMILES Nc1nccc(n1)-c1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H10N4O/c13-12-14-5-4-8(16-12)7-6-15-9-2-1-3-10(17)11(7)9/h1-6,15,17H,(H2,13,14,16)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human PDK1

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50178285
PNG
(CHEMBL3813865)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C16H15N7/c1-2-11-4-14(23-16(17)22-11)13-8-19-15-12(13)3-9(5-18-15)10-6-20-21-7-10/h3-8H,2H2,1H3,(H,18,19)(H,20,21)(H2,17,22,23)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of PDK1 in human PC3 cells assessed as reduction in AKT Thr308 phosphorylation after 45 mins

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50178293
PNG
(CHEMBL3815046)
Show SMILES CCCCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C23H28N8/c1-2-3-4-17-10-21(30-23(24)29-17)20-13-27-22-19(20)9-15(11-26-22)16-12-28-31(14-16)18-5-7-25-8-6-18/h9-14,18,25H,2-8H2,1H3,(H,26,27)(H2,24,29,30)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin)

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))		BDBM50371404
PNG
(MERIOLIN 1)
Show SMILES Nc1nccc(n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C11H9N5/c12-11-14-5-3-9(16-11)8-6-15-10-7(8)2-1-4-13-10/h1-6H,(H,13,15)(H2,12,14,16)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human PDK1

Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
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