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Compile Data Set for Download or QSAR

Found 81 hits with Last Name = 'maw' and Initial = 'h'   
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))
BDBM50050525
PNG
((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1
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PubMed
0.0300n/an/an/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 50: 2391-8 (2007)


Article DOI: 10.1021/jm061321+
BindingDB Entry DOI: 10.7270/Q2NC6407
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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0.180n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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0.180n/an/an/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 50: 2391-8 (2007)


Article DOI: 10.1021/jm061321+
BindingDB Entry DOI: 10.7270/Q2NC6407
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050525
PNG
((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050511
PNG
((R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid |...)
Show SMILES NCC(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50050511
PNG
((R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid |...)
Show SMILES NCC(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1
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0.410n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50050525
PNG
((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1
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0.530n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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0.760n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50253621
PNG
((S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxop...)
Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H17BN2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7,16-17H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50050525
PNG
((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1
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2n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50476305
PNG
(CHEMBL2068511)
Show SMILES [H][C@@]1(N)CCN([C@@H](C)B(O)O)C1=O
Show InChI InChI=1S/C6H13BN2O3/c1-4(7(11)12)9-3-2-5(8)6(9)10/h4-5,11-12H,2-3,8H2,1H3/t4-,5+/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 50: 2391-8 (2007)


Article DOI: 10.1021/jm061321+
BindingDB Entry DOI: 10.7270/Q2NC6407
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50253621
PNG
((S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxop...)
Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H17BN2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7,16-17H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50050511
PNG
((R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid |...)
Show SMILES NCC(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50171556
PNG
((R)-1-((S)-2-amino-3-methylbutanamido)ethylboronic...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](C)B(O)O |r|
Show InChI InChI=1S/C7H17BN2O3/c1-4(2)6(9)7(11)10-5(3)8(12)13/h4-6,12-13H,9H2,1-3H3,(H,10,11)/t5-,6-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50253639
PNG
((S)-4-amino-5-((R)-1-boronoethylamino)-5-oxopentan...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(O)=O)B(O)O |r|
Show InChI InChI=1S/C7H15BN2O5/c1-4(8(14)15)10-7(13)5(9)2-3-6(11)12/h4-5,14-15H,2-3,9H2,1H3,(H,10,13)(H,11,12)/t4-,5-/m0/s1
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8.30n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50253621
PNG
((S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxop...)
Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H17BN2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7,16-17H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1
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11n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50253640
PNG
((R)-1-((S)-2,5-diamino-5-oxopentanamido)ethylboron...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(N)=O)B(O)O |r|
Show InChI InChI=1S/C7H16BN3O4/c1-4(8(14)15)11-7(13)5(9)2-3-6(10)12/h4-5,14-15H,2-3,9H2,1H3,(H2,10,12)(H,11,13)/t4-,5-/m0/s1
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17n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50171556
PNG
((R)-1-((S)-2-amino-3-methylbutanamido)ethylboronic...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](C)B(O)O |r|
Show InChI InChI=1S/C7H17BN2O3/c1-4(2)6(9)7(11)10-5(3)8(12)13/h4-6,12-13H,9H2,1-3H3,(H,10,11)/t5-,6-/m0/s1
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50n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50171556
PNG
((R)-1-((S)-2-amino-3-methylbutanamido)ethylboronic...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](C)B(O)O |r|
Show InChI InChI=1S/C7H17BN2O3/c1-4(2)6(9)7(11)10-5(3)8(12)13/h4-6,12-13H,9H2,1-3H3,(H,10,11)/t5-,6-/m0/s1
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96n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50253640
PNG
((R)-1-((S)-2,5-diamino-5-oxopentanamido)ethylboron...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(N)=O)B(O)O |r|
Show InChI InChI=1S/C7H16BN3O4/c1-4(8(14)15)11-7(13)5(9)2-3-6(10)12/h4-5,14-15H,2-3,9H2,1H3,(H2,10,12)(H,11,13)/t4-,5-/m0/s1
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140n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50253640
PNG
((R)-1-((S)-2,5-diamino-5-oxopentanamido)ethylboron...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(N)=O)B(O)O |r|
Show InChI InChI=1S/C7H16BN3O4/c1-4(8(14)15)11-7(13)5(9)2-3-6(10)12/h4-5,14-15H,2-3,9H2,1H3,(H2,10,12)(H,11,13)/t4-,5-/m0/s1
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260n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50253639
PNG
((S)-4-amino-5-((R)-1-boronoethylamino)-5-oxopentan...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(O)=O)B(O)O |r|
Show InChI InChI=1S/C7H15BN2O5/c1-4(8(14)15)10-7(13)5(9)2-3-6(11)12/h4-5,14-15H,2-3,9H2,1H3,(H,10,13)(H,11,12)/t4-,5-/m0/s1
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880n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50476304
PNG
(CHEMBL2068512)
Show SMILES [H][C@]1(N)CCN([C@@H](C)B(O)O)C1=O
Show InChI InChI=1S/C6H13BN2O3/c1-4(7(11)12)9-3-2-5(8)6(9)10/h4-5,11-12H,2-3,8H2,1H3/t4-,5-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 50: 2391-8 (2007)


Article DOI: 10.1021/jm061321+
BindingDB Entry DOI: 10.7270/Q2NC6407
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50253639
PNG
((S)-4-amino-5-((R)-1-boronoethylamino)-5-oxopentan...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(O)=O)B(O)O |r|
Show InChI InChI=1S/C7H15BN2O5/c1-4(8(14)15)10-7(13)5(9)2-3-6(11)12/h4-5,14-15H,2-3,9H2,1H3,(H,10,13)(H,11,12)/t4-,5-/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50253641
PNG
((R)-1-((S)-2-acetamido-3-methylbutanoyl)pyrrolidin...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C11H21BN2O4/c1-7(2)10(13-8(3)15)11(16)14-6-4-5-9(14)12(17)18/h7,9-10,17-18H,4-6H2,1-3H3,(H,13,15)/t9-,10-/m0/s1
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3.30E+3n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50253641
PNG
((R)-1-((S)-2-acetamido-3-methylbutanoyl)pyrrolidin...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C11H21BN2O4/c1-7(2)10(13-8(3)15)11(16)14-6-4-5-9(14)12(17)18/h7,9-10,17-18H,4-6H2,1-3H3,(H,13,15)/t9-,10-/m0/s1
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4.30E+3n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50253641
PNG
((R)-1-((S)-2-acetamido-3-methylbutanoyl)pyrrolidin...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C11H21BN2O4/c1-7(2)10(13-8(3)15)11(16)14-6-4-5-9(14)12(17)18/h7,9-10,17-18H,4-6H2,1-3H3,(H,13,15)/t9-,10-/m0/s1
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8.40E+3n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050525
PNG
((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1
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n/an/a 0.540n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4 at pH 2


J Med Chem 50: 2391-8 (2007)


Article DOI: 10.1021/jm061321+
BindingDB Entry DOI: 10.7270/Q2NC6407
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4 at pH 2


J Med Chem 50: 2391-8 (2007)


Article DOI: 10.1021/jm061321+
BindingDB Entry DOI: 10.7270/Q2NC6407
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50276903
PNG
(CHEMBL4171764)
Show SMILES Brc1cccc(Nc2ncnc3sc4CCCCc4c23)c1
Show InChI InChI=1S/C16H14BrN3S/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h3-5,8-9H,1-2,6-7H2,(H,18,19,20)
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n/an/a 2.60n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of EGFR1 (unknown origin) after 1 hr in presence of adenosine 5'[gamma-33P]triphosphate by microbeta microplate counting method


Eur J Med Chem 138: 1053-1065 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.028
BindingDB Entry DOI: 10.7270/Q2794760
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50476305
PNG
(CHEMBL2068511)
Show SMILES [H][C@@]1(N)CCN([C@@H](C)B(O)O)C1=O
Show InChI InChI=1S/C6H13BN2O3/c1-4(7(11)12)9-3-2-5(8)6(9)10/h4-5,11-12H,2-3,8H2,1H3/t4-,5+/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4 at pH 8


J Med Chem 50: 2391-8 (2007)


Article DOI: 10.1021/jm061321+
BindingDB Entry DOI: 10.7270/Q2NC6407
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50476305
PNG
(CHEMBL2068511)
Show SMILES [H][C@@]1(N)CCN([C@@H](C)B(O)O)C1=O
Show InChI InChI=1S/C6H13BN2O3/c1-4(7(11)12)9-3-2-5(8)6(9)10/h4-5,11-12H,2-3,8H2,1H3/t4-,5+/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4 at pH 2


J Med Chem 50: 2391-8 (2007)


Article DOI: 10.1021/jm061321+
BindingDB Entry DOI: 10.7270/Q2NC6407
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50476304
PNG
(CHEMBL2068512)
Show SMILES [H][C@]1(N)CCN([C@@H](C)B(O)O)C1=O
Show InChI InChI=1S/C6H13BN2O3/c1-4(7(11)12)9-3-2-5(8)6(9)10/h4-5,11-12H,2-3,8H2,1H3/t4-,5-/m0/s1
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n/an/a 460n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4 at pH 8


J Med Chem 50: 2391-8 (2007)


Article DOI: 10.1021/jm061321+
BindingDB Entry DOI: 10.7270/Q2NC6407
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50476304
PNG
(CHEMBL2068512)
Show SMILES [H][C@]1(N)CCN([C@@H](C)B(O)O)C1=O
Show InChI InChI=1S/C6H13BN2O3/c1-4(7(11)12)9-3-2-5(8)6(9)10/h4-5,11-12H,2-3,8H2,1H3/t4-,5-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4 at pH 2


J Med Chem 50: 2391-8 (2007)


Article DOI: 10.1021/jm061321+
BindingDB Entry DOI: 10.7270/Q2NC6407
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4 at pH 8


J Med Chem 50: 2391-8 (2007)


Article DOI: 10.1021/jm061321+
BindingDB Entry DOI: 10.7270/Q2NC6407
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050525
PNG
((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4 at pH 8


J Med Chem 50: 2391-8 (2007)


Article DOI: 10.1021/jm061321+
BindingDB Entry DOI: 10.7270/Q2NC6407
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050517
PNG
(Boronic acid derivative | CHEMBL305170 | N-alkyl G...)
Show SMILES CC(C)[C@@H](N)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8+/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4 at pH 2


J Med Chem 50: 2391-8 (2007)


Article DOI: 10.1021/jm061321+
BindingDB Entry DOI: 10.7270/Q2NC6407
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050517
PNG
(Boronic acid derivative | CHEMBL305170 | N-alkyl G...)
Show SMILES CC(C)[C@@H](N)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8+/m0/s1
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n/an/a>2.30E+3n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4 at pH 8


J Med Chem 50: 2391-8 (2007)


Article DOI: 10.1021/jm061321+
BindingDB Entry DOI: 10.7270/Q2NC6407
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in intact HEK293T cells after 2 hrs


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK2/cyclin A using histone H1 as substrate after 30 mins in presence of ATP by scintillation counting method


Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
BindingDB Entry DOI: 10.7270/Q28P62X6
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50242618
PNG
(CHEMBL4099804)
Show SMILES COc1cc2ncnc(Nc3cc([nH]n3)-c3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C19H16ClN5O2/c1-26-16-7-13-15(8-17(16)27-2)21-10-22-19(13)23-18-9-14(24-25-18)11-3-5-12(20)6-4-11/h3-10H,1-2H3,(H2,21,22,23,24,25)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human GST-fused DYRK1A expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of...


Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
BindingDB Entry DOI: 10.7270/Q28P62X6
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50242619
PNG
(CHEMBL4105091)
Show SMILES COc1cc2ncnc(Nc3cc([nH]n3)-c3ccc(F)cc3)c2cc1OC
Show InChI InChI=1S/C19H16FN5O2/c1-26-16-7-13-15(8-17(16)27-2)21-10-22-19(13)23-18-9-14(24-25-18)11-3-5-12(20)6-4-11/h3-10H,1-2H3,(H2,21,22,23,24,25)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human GST-fused DYRK1A expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of...


Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
BindingDB Entry DOI: 10.7270/Q28P62X6
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50242620
PNG
(CHEMBL4097381)
Show SMILES COc1cc2ncnc(Nc3n[nH]cc3C#N)c2cc1OC
Show InChI InChI=1S/C14H12N6O2/c1-21-11-3-9-10(4-12(11)22-2)16-7-17-14(9)19-13-8(5-15)6-18-20-13/h3-4,6-7H,1-2H3,(H2,16,17,18,19,20)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human GST-fused DYRK1A expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of...


Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
BindingDB Entry DOI: 10.7270/Q28P62X6
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50242621
PNG
(CHEMBL4070204)
Show SMILES COc1cc2ncnc(Nc3cc(O)[nH]n3)c2cc1OC
Show InChI InChI=1S/C13H13N5O3/c1-20-9-3-7-8(4-10(9)21-2)14-6-15-13(7)16-11-5-12(19)18-17-11/h3-6H,1-2H3,(H3,14,15,16,17,18,19)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human GST-fused DYRK1A expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of...


Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
BindingDB Entry DOI: 10.7270/Q28P62X6
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50242622
PNG
(CHEMBL4065204)
Show SMILES COc1cc2ncnc(Nc3cc(-c4ccccc4)n(n3)-c3ccccc3)c2cc1OC
Show InChI InChI=1S/C25H21N5O2/c1-31-22-13-19-20(14-23(22)32-2)26-16-27-25(19)28-24-15-21(17-9-5-3-6-10-17)30(29-24)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,26,27,28,29)
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Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse GST-fused CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of ATP by scinti...


Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
BindingDB Entry DOI: 10.7270/Q28P62X6
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50242618
PNG
(CHEMBL4099804)
Show SMILES COc1cc2ncnc(Nc3cc([nH]n3)-c3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C19H16ClN5O2/c1-26-16-7-13-15(8-17(16)27-2)21-10-22-19(13)23-18-9-14(24-25-18)11-3-5-12(20)6-4-11/h3-10H,1-2H3,(H2,21,22,23,24,25)
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Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse GST-fused CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of ATP by scinti...


Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
BindingDB Entry DOI: 10.7270/Q28P62X6
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50242619
PNG
(CHEMBL4105091)
Show SMILES COc1cc2ncnc(Nc3cc([nH]n3)-c3ccc(F)cc3)c2cc1OC
Show InChI InChI=1S/C19H16FN5O2/c1-26-16-7-13-15(8-17(16)27-2)21-10-22-19(13)23-18-9-14(24-25-18)11-3-5-12(20)6-4-11/h3-10H,1-2H3,(H2,21,22,23,24,25)
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Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse GST-fused CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of ATP by scinti...


Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
BindingDB Entry DOI: 10.7270/Q28P62X6
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50242620
PNG
(CHEMBL4097381)
Show SMILES COc1cc2ncnc(Nc3n[nH]cc3C#N)c2cc1OC
Show InChI InChI=1S/C14H12N6O2/c1-21-11-3-9-10(4-12(11)22-2)16-7-17-14(9)19-13-8(5-15)6-18-20-13/h3-4,6-7H,1-2H3,(H2,16,17,18,19,20)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse GST-fused CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of ATP by scinti...


Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
BindingDB Entry DOI: 10.7270/Q28P62X6
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50242621
PNG
(CHEMBL4070204)
Show SMILES COc1cc2ncnc(Nc3cc(O)[nH]n3)c2cc1OC
Show InChI InChI=1S/C13H13N5O3/c1-20-9-3-7-8(4-10(9)21-2)14-6-15-13(7)16-11-5-12(19)18-17-11/h3-6H,1-2H3,(H3,14,15,16,17,18,19)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse GST-fused CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of ATP by scinti...


Bioorg Med Chem Lett 27: 2663-2667 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.080
BindingDB Entry DOI: 10.7270/Q28P62X6
More data for this
Ligand-Target Pair
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