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Compile Data Set for Download or QSAR

Found 1235 hits with Last Name = 'meng' and Initial = 'l'   
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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50516930
PNG
(CHEMBL4448186)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3ccc(Cl)cc3C(O)=O)c(=O)c12)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H25ClN6O4/c1-3-4-10-29-18-19(26-22(29)28-9-5-6-16(25)13-28)27(2)23(34)30(20(18)31)12-14-7-8-15(24)11-17(14)21(32)33/h7-8,11,16H,5-6,9-10,12-13,25H2,1-2H3,(H,32,33)/t16-/m1/s1
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Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 expressed in baculovirus infected Sf9 insect cells using Gly-Pro-AMC as substrate preincubated for 15 mins follo...


Eur J Med Chem 180: 509-523 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.045
BindingDB Entry DOI: 10.7270/Q2Q243MN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM11695
PNG
((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4|
Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1
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n/an/a 0.120n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant DPP9 using Gly-Pro-AMC as substrate preincubated for 15 mins followed by substrate addition and measured for 20 mins ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113765
BindingDB Entry DOI: 10.7270/Q2J67MS2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50516916
PNG
(CHEMBL4465482)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3cc(Cl)ccc3C(O)=O)c(=O)c12)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H25ClN6O4/c1-3-4-10-29-18-19(26-22(29)28-9-5-6-16(25)13-28)27(2)23(34)30(20(18)31)12-14-11-15(24)7-8-17(14)21(32)33/h7-8,11,16H,5-6,9-10,12-13,25H2,1-2H3,(H,32,33)/t16-/m1/s1
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Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 expressed in baculovirus infected Sf9 insect cells using Gly-Pro-AMC as substrate preincubated for 15 mins follo...


Eur J Med Chem 180: 509-523 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.045
BindingDB Entry DOI: 10.7270/Q2Q243MN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50612230
PNG
(CHEMBL5270706)
PDB

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n/an/a<0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50612231
PNG
(CHEMBL5280373)
PDB

KEGG

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n/an/a<0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50612208
PNG
(CHEMBL5284027)
PDB

KEGG

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n/an/a<0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50612225
PNG
(CHEMBL5286893)
PDB

KEGG

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n/an/a<0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50612209
PNG
(CHEMBL5288427)
PDB

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n/an/a<0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50612206
PNG
(CHEMBL5277668)
PDB

KEGG

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n/an/a<0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50612226
PNG
(CHEMBL5281154)
PDB

KEGG

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n/an/a<0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50612225
PNG
(CHEMBL5286893)
PDB

KEGG

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n/an/a<0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50612226
PNG
(CHEMBL5281154)
PDB

KEGG

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n/an/a<0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50612206
PNG
(CHEMBL5277668)
PDB

KEGG

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n/an/a<0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50612227
PNG
(CHEMBL5289675)
PDB

KEGG

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n/an/a<0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50516911
PNG
(CHEMBL4461587)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3ccc(Br)cc3C(O)=O)c(=O)c12)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H25BrN6O4/c1-3-4-10-29-18-19(26-22(29)28-9-5-6-16(25)13-28)27(2)23(34)30(20(18)31)12-14-7-8-15(24)11-17(14)21(32)33/h7-8,11,16H,5-6,9-10,12-13,25H2,1-2H3,(H,32,33)/t16-/m1/s1
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Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 expressed in baculovirus infected Sf9 insect cells using Gly-Pro-AMC as substrate preincubated for 15 mins follo...


Eur J Med Chem 180: 509-523 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.045
BindingDB Entry DOI: 10.7270/Q2Q243MN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50612230
PNG
(CHEMBL5270706)
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50612207
PNG
(CHEMBL5274608)
PDB

KEGG

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n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50457170
PNG
(CHEMBL4208385)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2[nH]cc(-c3ccncc3)c2c1
Show InChI InChI=1S/C23H15ClFN5O2S/c24-22-21(30-33(31,32)18-3-1-17(25)2-4-18)10-16(11-27-22)15-9-19-20(13-29-23(19)28-12-15)14-5-7-26-8-6-14/h1-13,30H,(H,28,29)
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Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2/PS as substrate ...


ACS Med Chem Lett 8: 875-880 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00222
BindingDB Entry DOI: 10.7270/Q2CR5WZT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50516926
PNG
(CHEMBL4588692)
Show SMILES COc1ccc(C(O)=O)c(Cn2c(=O)n(C)c3nc(N4CCC[C@@H](N)C4)n(CC#CC)c3c2=O)c1 |r|
Show InChI InChI=1S/C24H28N6O5/c1-4-5-11-29-19-20(26-23(29)28-10-6-7-16(25)14-28)27(2)24(34)30(21(19)31)13-15-12-17(35-3)8-9-18(15)22(32)33/h8-9,12,16H,6-7,10-11,13-14,25H2,1-3H3,(H,32,33)/t16-/m1/s1
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Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 expressed in baculovirus infected Sf9 insect cells using Gly-Pro-AMC as substrate preincubated for 15 mins follo...


Eur J Med Chem 180: 509-523 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.045
BindingDB Entry DOI: 10.7270/Q2Q243MN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50612205
PNG
(CHEMBL5279036)
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 0.440n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50457173
PNG
(CHEMBL4213317)
Show SMILES Fc1ccccc1S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2[nH]cc(-c3ccncc3)c2c1
Show InChI InChI=1S/C23H15ClFN5O2S/c24-22-20(30-33(31,32)21-4-2-1-3-19(21)25)10-16(11-27-22)15-9-17-18(13-29-23(17)28-12-15)14-5-7-26-8-6-14/h1-13,30H,(H,28,29)
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Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2/PS as substrate ...


ACS Med Chem Lett 8: 875-880 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00222
BindingDB Entry DOI: 10.7270/Q2CR5WZT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50457159
PNG
(CHEMBL4217725)
Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]cc(-c3ccncc3)c2c1
Show InChI InChI=1S/C23H16ClN5O2S/c24-22-21(29-32(30,31)18-4-2-1-3-5-18)11-17(12-26-22)16-10-19-20(14-28-23(19)27-13-16)15-6-8-25-9-7-15/h1-14,29H,(H,27,28)
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Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length His-tagged human PI3K p110gamma expressed in baculovirus expression system using PIP2/PS as substrate after 1 h...


ACS Med Chem Lett 8: 875-880 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00222
BindingDB Entry DOI: 10.7270/Q2CR5WZT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50612209
PNG
(CHEMBL5288427)
PDB

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n/an/a 0.530n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27566
PNG
(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PARP1 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50457159
PNG
(CHEMBL4217725)
Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]cc(-c3ccncc3)c2c1
Show InChI InChI=1S/C23H16ClN5O2S/c24-22-21(29-32(30,31)18-4-2-1-3-5-18)11-17(12-26-22)16-10-19-20(14-28-23(19)27-13-16)15-6-8-25-9-7-15/h1-14,29H,(H,27,28)
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Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2/PS as substrate ...


ACS Med Chem Lett 8: 875-880 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00222
BindingDB Entry DOI: 10.7270/Q2CR5WZT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50612208
PNG
(CHEMBL5284027)
PDB

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n/an/a 0.700n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50457173
PNG
(CHEMBL4213317)
Show SMILES Fc1ccccc1S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2[nH]cc(-c3ccncc3)c2c1
Show InChI InChI=1S/C23H15ClFN5O2S/c24-22-20(30-33(31,32)21-4-2-1-3-19(21)25)10-16(11-27-22)15-9-17-18(13-29-23(17)28-12-15)14-5-7-26-8-6-14/h1-13,30H,(H,28,29)
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Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length His-tagged human PI3K p110gamma expressed in baculovirus expression system using PIP2/PS as substrate after 1 h...


ACS Med Chem Lett 8: 875-880 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00222
BindingDB Entry DOI: 10.7270/Q2CR5WZT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50457170
PNG
(CHEMBL4208385)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2[nH]cc(-c3ccncc3)c2c1
Show InChI InChI=1S/C23H15ClFN5O2S/c24-22-21(30-33(31,32)18-3-1-17(25)2-4-18)10-16(11-27-22)15-9-19-20(13-29-23(19)28-12-15)14-5-7-26-8-6-14/h1-13,30H,(H,28,29)
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Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length His-tagged human PI3K p110gamma expressed in baculovirus expression system using PIP2/PS as substrate after 1 h...


ACS Med Chem Lett 8: 875-880 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00222
BindingDB Entry DOI: 10.7270/Q2CR5WZT
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50457158
PNG
(CHEMBL4212775)
Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1S/C22H15ClN6O2S/c23-21-19(29-32(30,31)17-4-2-1-3-5-17)11-16(12-25-21)15-10-18-20(14-6-8-24-9-7-14)27-28-22(18)26-13-15/h1-13,29H,(H,26,27,28)
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n/an/a 0.700n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2/PS as substrate ...


ACS Med Chem Lett 8: 875-880 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00222
BindingDB Entry DOI: 10.7270/Q2CR5WZT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50516922
PNG
(CHEMBL4536341)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3cc(Br)ccc3C(O)=O)c(=O)c12)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H25BrN6O4/c1-3-4-10-29-18-19(26-22(29)28-9-5-6-16(25)13-28)27(2)23(34)30(20(18)31)12-14-11-15(24)7-8-17(14)21(32)33/h7-8,11,16H,5-6,9-10,12-13,25H2,1-2H3,(H,32,33)/t16-/m1/s1
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n/an/a 0.720n/an/an/an/an/an/a



Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 expressed in baculovirus infected Sf9 insect cells using Gly-Pro-AMC as substrate preincubated for 15 mins follo...


Eur J Med Chem 180: 509-523 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.045
BindingDB Entry DOI: 10.7270/Q2Q243MN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50577961
PNG
(CHEMBL4856337)
Show SMILES CC#CCn1c(cc(=O)n(Cc2ccc(Br)c(c2)C(O)=O)c1=O)N1CCC[C@@H](N)C1 |r|
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant DPP4 using Gly-Pro-AMC as substrate preincubated for 15 mins followed by substrate addition and measured for 20 mins ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113765
BindingDB Entry DOI: 10.7270/Q2J67MS2
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50612229
PNG
(CHEMBL5280577)
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n/an/a 0.800n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50612223
PNG
(CHEMBL5279816)
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n/an/a 0.820n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50612207
PNG
(CHEMBL5274608)
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n/an/a 0.880n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50612227
PNG
(CHEMBL5289675)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50457169
PNG
(CHEMBL4216255)
Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]nc(-c3ccccc3)c2c1
Show InChI InChI=1S/C23H16ClN5O2S/c24-22-20(29-32(30,31)18-9-5-2-6-10-18)12-17(13-25-22)16-11-19-21(15-7-3-1-4-8-15)27-28-23(19)26-14-16/h1-14,29H,(H,26,27,28)
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Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2/PS as substrate ...


ACS Med Chem Lett 8: 875-880 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00222
BindingDB Entry DOI: 10.7270/Q2CR5WZT
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50457168
PNG
(CHEMBL4204586)
Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]cc(-c3ccccc3)c2c1
Show InChI InChI=1S/C24H17ClN4O2S/c25-23-22(29-32(30,31)19-9-5-2-6-10-19)12-18(13-26-23)17-11-20-21(15-28-24(20)27-14-17)16-7-3-1-4-8-16/h1-15,29H,(H,27,28)
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Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2/PS as substrate ...


ACS Med Chem Lett 8: 875-880 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00222
BindingDB Entry DOI: 10.7270/Q2CR5WZT
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50457160
PNG
(CHEMBL4204119)
Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]ncc2c1
Show InChI InChI=1S/C17H12ClN5O2S/c18-16-15(23-26(24,25)14-4-2-1-3-5-14)7-12(8-19-16)11-6-13-10-21-22-17(13)20-9-11/h1-10,23H,(H,20,21,22)
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n/an/a 1n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2/PS as substrate ...


ACS Med Chem Lett 8: 875-880 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00222
BindingDB Entry DOI: 10.7270/Q2CR5WZT
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50457170
PNG
(CHEMBL4208385)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2[nH]cc(-c3ccncc3)c2c1
Show InChI InChI=1S/C23H15ClFN5O2S/c24-22-21(30-33(31,32)18-3-1-17(25)2-4-18)10-16(11-27-22)15-9-19-20(13-29-23(19)28-12-15)14-5-7-26-8-6-14/h1-13,30H,(H,28,29)
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Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in baculovirus expression system using PIP2/PS as...


ACS Med Chem Lett 8: 875-880 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00222
BindingDB Entry DOI: 10.7270/Q2CR5WZT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM351917
PNG
(Preparation of 5-(2,4-di(3-oxa-8-azabicyclo[3.2.1]...)
Show SMILES COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1C2CCC1COC2)N1C2CCC1COC2
Show InChI InChI=1S/C27H31N5O4/c1-34-24-9-2-16(10-17(24)11-33)23-8-7-22-25(28-23)29-27(32-20-5-6-21(32)15-36-14-20)30-26(22)31-18-3-4-19(31)13-35-12-18/h2,7-10,18-21,33H,3-6,11-15H2,1H3
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US Patent
n/an/a 1n/an/an/an/an/an/a



SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD.

US Patent


Assay Description
The test on activity against mTOR Kinase was performed using a 1.7 nM mTOR (Millipore, 14-770M), a 50 nM ULight-4EBP1 (Perkin-Elmer, TRF0128M) and a ...


US Patent US9796732 (2017)


BindingDB Entry DOI: 10.7270/Q2VD71MN
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50457171
PNG
(CHEMBL4214320)
Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]ccc2c1
Show InChI InChI=1S/C18H13ClN4O2S/c19-17-16(23-26(24,25)15-4-2-1-3-5-15)9-14(10-21-17)13-8-12-6-7-20-18(12)22-11-13/h1-11,23H,(H,20,22)
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Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2/PS as substrate ...


ACS Med Chem Lett 8: 875-880 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00222
BindingDB Entry DOI: 10.7270/Q2CR5WZT
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50457158
PNG
(CHEMBL4212775)
Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1S/C22H15ClN6O2S/c23-21-19(29-32(30,31)17-4-2-1-3-5-17)11-16(12-25-21)15-10-18-20(14-6-8-24-9-7-14)27-28-22(18)26-13-15/h1-13,29H,(H,26,27,28)
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Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in baculovirus expression system using PIP2/PS as...


ACS Med Chem Lett 8: 875-880 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00222
BindingDB Entry DOI: 10.7270/Q2CR5WZT
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50457159
PNG
(CHEMBL4217725)
Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]cc(-c3ccncc3)c2c1
Show InChI InChI=1S/C23H16ClN5O2S/c24-22-21(29-32(30,31)18-4-2-1-3-5-18)11-17(12-26-22)16-10-19-20(14-28-23(19)27-13-16)15-6-8-25-9-7-15/h1-14,29H,(H,27,28)
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Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in baculovirus expression system using PIP2/PS as...


ACS Med Chem Lett 8: 875-880 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00222
BindingDB Entry DOI: 10.7270/Q2CR5WZT
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50457173
PNG
(CHEMBL4213317)
Show SMILES Fc1ccccc1S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2[nH]cc(-c3ccncc3)c2c1
Show InChI InChI=1S/C23H15ClFN5O2S/c24-22-20(30-33(31,32)21-4-2-1-3-19(21)25)10-16(11-27-22)15-9-17-18(13-29-23(17)28-12-15)14-5-7-26-8-6-14/h1-13,30H,(H,28,29)
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Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in baculovirus expression system using PIP2/PS as...


ACS Med Chem Lett 8: 875-880 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00222
BindingDB Entry DOI: 10.7270/Q2CR5WZT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM633161
PNG
(US20230348467, Compound 9)
Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc(C(O)=O)c2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM633155
PNG
(US20230348467, Compound 5)
Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc(C(N)=O)c2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50577964
PNG
(CHEMBL4865204)
Show SMILES CC#CCn1c(cc(=O)n(Cc2ccc(Cl)c(c2)C(O)=O)c1=O)N1CCC[C@@H](N)C1 |r|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant DPP4 using Gly-Pro-AMC as substrate preincubated for 15 mins followed by substrate addition and measured for 20 mins ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113765
BindingDB Entry DOI: 10.7270/Q2J67MS2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50577959
PNG
(CHEMBL4863102)
Show SMILES CC#CCn1c(cc(=O)n(Cc2ccc(F)c(c2)C(O)=O)c1=O)N1CCC[C@@H](N)C1 |r|
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TBA

Assay Description
Inhibition of human recombinant DPP4 using Gly-Pro-AMC as substrate preincubated for 15 mins followed by substrate addition and measured for 20 mins ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113765
BindingDB Entry DOI: 10.7270/Q2J67MS2
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50612230
PNG
(CHEMBL5270706)
PDB

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TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50612230
PNG
(CHEMBL5270706)
PDB

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n/an/a 1.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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