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40 similar compounds to monomer 50259021

Compile data set for download or QSAR
Wt: 305.3
BDBM50259240
Wt: 319.3
BDBM50259243
Wt: 333.3
BDBM50259287
Wt: 348.3
BDBM50259356
Wt: 419.4
BDBM50259018
Wt: 449.4
BDBM50259063
Wt: 448.4
BDBM50259111
Wt: 462.5
BDBM50259112
Wt: 357.3
BDBM50259616
Wt: 471.5
BDBM50259196
Wt: 372.4
BDBM50258884
Wt: 458.4
BDBM50258921
Wt: 337.4
BDBM50259289
Wt: 297.3
BDBM50259553
Wt: 321.3
BDBM50259408
Displayed 1 to 15 (of 40 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 50259240,50259243,50259287,50259356,50259018,50259063,50259111,50259112,50259616,50259196,50258884,50258921,50259289,50259553,50259408   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor


(Homo sapiens (Human))
BDBM50258884
PNG
(CHEMBL4097170)
Show SMILES CC(=O)Nc1cc(cc(n1)-c1ccc(cc1)C(C)=O)-c1ccc(cc1)C(C)=O
Show InChI InChI=1S/C23H20N2O3/c1-14(26)17-4-8-19(9-5-17)21-12-22(25-23(13-21)24-16(3)28)20-10-6-18(7-11-20)15(2)27/h4-13H,1-3H3,(H,24,25,28)
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7.20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cell membranes after 180 mins


J Med Chem 60: 7502-7511 (2017)

More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50259289
PNG
(CHEMBL4096444)
Show SMILES O=C(c1ccccc1)c1ccc(OCCCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H27NO2/c24-22(19-9-3-1-4-10-19)20-11-13-21(14-12-20)25-18-8-2-5-15-23-16-6-7-17-23/h1,3-4,9-14H,2,5-8,15-18H2
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1.30E+4n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Antagonist activity at human H4 receptor expressed in CHO cells co-expressing Galphai2 assessed as inhibition of imetit-induced GTPgamma[35S] binding...


Eur J Med Chem 125: 565-572 (2017)

More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50259289
PNG
(CHEMBL4096444)
Show SMILES O=C(c1ccccc1)c1ccc(OCCCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H27NO2/c24-22(19-9-3-1-4-10-19)20-11-13-21(14-12-20)25-18-8-2-5-15-23-16-6-7-17-23/h1,3-4,9-14H,2,5-8,15-18H2
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1.30E+4n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Antagonist activity at human H4 receptor expressed in CHO cells co-expressing Galphai2 assessed as inhibition of imetit-induced GTPgamma[35S] binding...


Eur J Med Chem 125: 565-572 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50259240
PNG
((5-(1-Benzyl-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl...)
Show SMILES NCc1noc(n1)-c1nn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C17H15N5O/c18-10-15-19-17(23-21-15)16-13-8-4-5-9-14(13)22(20-16)11-12-6-2-1-3-7-12/h1-9H,10-11,18H2
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n/an/a 9n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2


J Med Chem 52: 2694-707 (2009)


Article DOI: 10.1021/jm801180p
BindingDB Entry DOI: 10.7270/Q2GT5N3B
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50259287
PNG
((5-(1-(3,5-Dimethylbenzyl)-1H-indazol-3-yl)-1,2,4-...)
Show SMILES Cc1cc(C)cc(Cn2nc(-c3nc(CN)no3)c3ccccc23)c1
Show InChI InChI=1S/C19H19N5O/c1-12-7-13(2)9-14(8-12)11-24-16-6-4-3-5-15(16)18(22-24)19-21-17(10-20)23-25-19/h3-9H,10-11,20H2,1-2H3
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n/an/a 62n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2


J Med Chem 52: 2694-707 (2009)


Article DOI: 10.1021/jm801180p
BindingDB Entry DOI: 10.7270/Q2GT5N3B
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50259243
PNG
((5-(1-(3-Methylbenzyl)-1H-indazol-3-yl)-1,2,4-oxad...)
Show SMILES Cc1cccc(Cn2nc(-c3nc(CN)no3)c3ccccc23)c1
Show InChI InChI=1S/C18H17N5O/c1-12-5-4-6-13(9-12)11-23-15-8-3-2-7-14(15)17(21-23)18-20-16(10-19)22-24-18/h2-9H,10-11,19H2,1H3
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n/an/a 84n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2


J Med Chem 52: 2694-707 (2009)


Article DOI: 10.1021/jm801180p
BindingDB Entry DOI: 10.7270/Q2GT5N3B
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50259240
PNG
((5-(1-Benzyl-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl...)
Show SMILES NCc1noc(n1)-c1nn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C17H15N5O/c18-10-15-19-17(23-21-15)16-13-8-4-5-9-14(13)22(20-16)11-12-6-2-1-3-7-12/h1-9H,10-11,18H2
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n/an/a 90n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6


J Med Chem 52: 2694-707 (2009)


Article DOI: 10.1021/jm801180p
BindingDB Entry DOI: 10.7270/Q2GT5N3B
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50259240
PNG
((5-(1-Benzyl-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl...)
Show SMILES NCc1noc(n1)-c1nn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C17H15N5O/c18-10-15-19-17(23-21-15)16-13-8-4-5-9-14(13)22(20-16)11-12-6-2-1-3-7-12/h1-9H,10-11,18H2
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n/an/a 660n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.6 expressed in HEK293 cells assessed as change in membrane potential using MP-red voltage sensitve dye


J Med Chem 52: 2694-707 (2009)


Article DOI: 10.1021/jm801180p
BindingDB Entry DOI: 10.7270/Q2GT5N3B
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50259356
PNG
(3-((3-(3-(Aminomethyl)-1,2,4-oxadiazol-5-yl)-1H-in...)
Show SMILES NCc1noc(n1)-c1nn(Cc2ccc(cc2)C(N)=O)c2ccccc12
Show InChI InChI=1S/C18H16N6O2/c19-9-15-21-18(26-23-15)16-13-3-1-2-4-14(13)24(22-16)10-11-5-7-12(8-6-11)17(20)25/h1-8H,9-10,19H2,(H2,20,25)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6


J Med Chem 52: 2694-707 (2009)


Article DOI: 10.1021/jm801180p
BindingDB Entry DOI: 10.7270/Q2GT5N3B
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50259240
PNG
((5-(1-Benzyl-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl...)
Show SMILES NCc1noc(n1)-c1nn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C17H15N5O/c18-10-15-19-17(23-21-15)16-13-8-4-5-9-14(13)22(20-16)11-12-6-2-1-3-7-12/h1-9H,10-11,18H2
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n/an/a 3.10E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4


J Med Chem 52: 2694-707 (2009)


Article DOI: 10.1021/jm801180p
BindingDB Entry DOI: 10.7270/Q2GT5N3B
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50259063
PNG
(CHEMBL513130 | Tert-butyl(5-(1-(benzo[d][1,3]dioxo...)
Show SMILES CC(C)(C)OC(=O)NCc1noc(n1)-c1nn(Cc2ccc3OCOc3c2)c2ccccc12
Show InChI InChI=1S/C23H23N5O5/c1-23(2,3)32-22(29)24-11-19-25-21(33-27-19)20-15-6-4-5-7-16(15)28(26-20)12-14-8-9-17-18(10-14)31-13-30-17/h4-10H,11-13H2,1-3H3,(H,24,29)
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n/an/a 3.30E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6


J Med Chem 52: 2694-707 (2009)


Article DOI: 10.1021/jm801180p
BindingDB Entry DOI: 10.7270/Q2GT5N3B
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50259287
PNG
((5-(1-(3,5-Dimethylbenzyl)-1H-indazol-3-yl)-1,2,4-...)
Show SMILES Cc1cc(C)cc(Cn2nc(-c3nc(CN)no3)c3ccccc23)c1
Show InChI InChI=1S/C19H19N5O/c1-12-7-13(2)9-14(8-12)11-24-16-6-4-3-5-15(16)18(22-24)19-21-17(10-20)23-25-19/h3-9H,10-11,20H2,1-2H3
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n/an/a 3.73E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6


J Med Chem 52: 2694-707 (2009)


Article DOI: 10.1021/jm801180p
BindingDB Entry DOI: 10.7270/Q2GT5N3B
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50259243
PNG
((5-(1-(3-Methylbenzyl)-1H-indazol-3-yl)-1,2,4-oxad...)
Show SMILES Cc1cccc(Cn2nc(-c3nc(CN)no3)c3ccccc23)c1
Show InChI InChI=1S/C18H17N5O/c1-12-5-4-6-13(9-12)11-23-15-8-3-2-7-14(15)17(21-23)18-20-16(10-19)22-24-18/h2-9H,10-11,19H2,1H3
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n/an/a 3.96E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6


J Med Chem 52: 2694-707 (2009)


Article DOI: 10.1021/jm801180p
BindingDB Entry DOI: 10.7270/Q2GT5N3B
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50259063
PNG
(CHEMBL513130 | Tert-butyl(5-(1-(benzo[d][1,3]dioxo...)
Show SMILES CC(C)(C)OC(=O)NCc1noc(n1)-c1nn(Cc2ccc3OCOc3c2)c2ccccc12
Show InChI InChI=1S/C23H23N5O5/c1-23(2,3)32-22(29)24-11-19-25-21(33-27-19)20-15-6-4-5-7-16(15)28(26-20)12-14-8-9-17-18(10-14)31-13-30-17/h4-10H,11-13H2,1-3H3,(H,24,29)
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n/an/a 4.86E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2


J Med Chem 52: 2694-707 (2009)


Article DOI: 10.1021/jm801180p
BindingDB Entry DOI: 10.7270/Q2GT5N3B
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50259112
PNG
(CHEMBL511893 | Tert-butyl(5-(1-(4-acetamidobenzyl)...)
Show SMILES CC(=O)Nc1ccc(Cn2nc(-c3nc(CNC(=O)OC(C)(C)C)no3)c3ccccc23)cc1
Show InChI InChI=1S/C24H26N6O4/c1-15(31)26-17-11-9-16(10-12-17)14-30-19-8-6-5-7-18(19)21(28-30)22-27-20(29-34-22)13-25-23(32)33-24(2,3)4/h5-12H,13-14H2,1-4H3,(H,25,32)(H,26,31)
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n/an/a 5.92E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2


J Med Chem 52: 2694-707 (2009)


Article DOI: 10.1021/jm801180p
BindingDB Entry DOI: 10.7270/Q2GT5N3B
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50259112
PNG
(CHEMBL511893 | Tert-butyl(5-(1-(4-acetamidobenzyl)...)
Show SMILES CC(=O)Nc1ccc(Cn2nc(-c3nc(CNC(=O)OC(C)(C)C)no3)c3ccccc23)cc1
Show InChI InChI=1S/C24H26N6O4/c1-15(31)26-17-11-9-16(10-12-17)14-30-19-8-6-5-7-18(19)21(28-30)22-27-20(29-34-22)13-25-23(32)33-24(2,3)4/h5-12H,13-14H2,1-4H3,(H,25,32)(H,26,31)
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n/an/a 1.30E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6


J Med Chem 52: 2694-707 (2009)


Article DOI: 10.1021/jm801180p
BindingDB Entry DOI: 10.7270/Q2GT5N3B
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50259018
PNG
(CHEMBL467283 | Tert-butyl(5-(1-(3-methylbenzyl)-1H...)
Show SMILES Cc1cccc(Cn2nc(-c3nc(CNC(=O)OC(C)(C)C)no3)c3ccccc23)c1
Show InChI InChI=1S/C23H25N5O3/c1-15-8-7-9-16(12-15)14-28-18-11-6-5-10-17(18)20(26-28)21-25-19(27-31-21)13-24-22(29)30-23(2,3)4/h5-12H,13-14H2,1-4H3,(H,24,29)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6


J Med Chem 52: 2694-707 (2009)


Article DOI: 10.1021/jm801180p
BindingDB Entry DOI: 10.7270/Q2GT5N3B
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50258921
PNG
(CHEMBL4097310)
Show SMILES CS(=O)(=O)CC(NC(=O)N1CC(=O)Nc2cccnc12)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C18H17F3N4O5S/c1-31(28,29)10-14(11-4-6-12(7-5-11)30-18(19,20)21)24-17(27)25-9-15(26)23-13-3-2-8-22-16(13)25/h2-8,14H,9-10H2,1H3,(H,23,26)(H,24,27)
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n/an/a 29n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged PDE2A3 expressed in fall armyworm Sf9 cells using [3H]cGMP as substrate preincubated for 30 mi...


J Med Chem 60: 7677-7702 (2017)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50259408
PNG
(CHEMBL4090770)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
Show InChI InChI=1/C18H19N5O/c1-2-14(11-24)21-17-5-6-18-20-10-16(23(18)22-17)13-3-4-15-12(9-13)7-8-19-15/h3-10,14,19,24H,2,11H2,1H3,(H,21,22)/t14-/s2
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n/an/a 4.10E+4n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A after 30 mins by [gamma-33P]ATP based scintillation counting analysis


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50259408
PNG
(CHEMBL4090770)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
Show InChI InChI=1/C18H19N5O/c1-2-14(11-24)21-17-5-6-18-20-10-16(23(18)22-17)13-3-4-15-12(9-13)7-8-19-15/h3-10,14,19,24H,2,11H2,1H3,(H,21,22)/t14-/s2
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n/an/a 270n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50259408
PNG
(CHEMBL4090770)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
Show InChI InChI=1/C18H19N5O/c1-2-14(11-24)21-17-5-6-18-20-10-16(23(18)22-17)13-3-4-15-12(9-13)7-8-19-15/h3-10,14,19,24H,2,11H2,1H3,(H,21,22)/t14-/s2
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n/an/a 380n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK2 expressed in Escherichia coli using using woodtide as substrate after 30 mins by [gamma-33P]ATP base...


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50259553
PNG
(CHEMBL4074132)
Show SMILES CC(C)[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1/C16H19N5O/c1-11(2)13(10-22)19-15-5-6-16-18-9-14(21(16)20-15)12-4-3-7-17-8-12/h3-9,11,13,22H,10H2,1-2H3,(H,19,20)/t13-/s2
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n/an/a 190n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK2 expressed in Escherichia coli using using woodtide as substrate after 30 mins by [gamma-33P]ATP base...


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50259408
PNG
(CHEMBL4090770)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
Show InChI InChI=1/C18H19N5O/c1-2-14(11-24)21-17-5-6-18-20-10-16(23(18)22-17)13-3-4-15-12(9-13)7-8-19-15/h3-10,14,19,24H,2,11H2,1H3,(H,21,22)/t14-/s2
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n/an/a 2.80E+3n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK9/cyclin T expressed in insect cells using CDK7/9-tide as substrate after 30 mins by [gamma-33P]ATP based scintill...


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50259408
PNG
(CHEMBL4090770)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
Show InChI InChI=1/C18H19N5O/c1-2-14(11-24)21-17-5-6-18-20-10-16(23(18)22-17)13-3-4-15-12(9-13)7-8-19-15/h3-10,14,19,24H,2,11H2,1H3,(H,21,22)/t14-/s2
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n/an/a 3.10E+3n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 after 30 mins by [gamma-33P]ATP based scintillation counting analysis


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 3


(Homo sapiens (Human))
BDBM50259553
PNG
(CHEMBL4074132)
Show SMILES CC(C)[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1/C16H19N5O/c1-11(2)13(10-22)19-15-5-6-16-18-9-14(21(16)20-15)12-4-3-7-17-8-12/h3-9,11,13,22H,10H2,1-2H3,(H,19,20)/t13-/s2
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n/an/a 320n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK3 expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based scin...


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Mus musculus)
BDBM50259408
PNG
(CHEMBL4090770)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
Show InChI InChI=1/C18H19N5O/c1-2-14(11-24)21-17-5-6-18-20-10-16(23(18)22-17)13-3-4-15-12(9-13)7-8-19-15/h3-10,14,19,24H,2,11H2,1H3,(H,21,22)/t14-/s2
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n/an/a 2.20E+3n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Mus musculus)
BDBM50259553
PNG
(CHEMBL4074132)
Show SMILES CC(C)[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1/C16H19N5O/c1-11(2)13(10-22)19-15-5-6-16-18-9-14(21(16)20-15)12-4-3-7-17-8-12/h3-9,11,13,22H,10H2,1-2H3,(H,19,20)/t13-/s2
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n/an/a 590n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK2 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50259408
PNG
(CHEMBL4090770)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
Show InChI InChI=1/C18H19N5O/c1-2-14(11-24)21-17-5-6-18-20-10-16(23(18)22-17)13-3-4-15-12(9-13)7-8-19-15/h3-10,14,19,24H,2,11H2,1H3,(H,21,22)/t14-/s2
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n/an/a 350n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK1A expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50259553
PNG
(CHEMBL4074132)
Show SMILES CC(C)[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1/C16H19N5O/c1-11(2)13(10-22)19-15-5-6-16-18-9-14(21(16)20-15)12-4-3-7-17-8-12/h3-9,11,13,22H,10H2,1-2H3,(H,19,20)/t13-/s2
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n/an/a 90n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50259553
PNG
(CHEMBL4074132)
Show SMILES CC(C)[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1/C16H19N5O/c1-11(2)13(10-22)19-15-5-6-16-18-9-14(21(16)20-15)12-4-3-7-17-8-12/h3-9,11,13,22H,10H2,1-2H3,(H,19,20)/t13-/s2
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n/an/a 3.20E+3n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A after 30 mins by [gamma-33P]ATP based scintillation counting analysis


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50259408
PNG
(CHEMBL4090770)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
Show InChI InChI=1/C18H19N5O/c1-2-14(11-24)21-17-5-6-18-20-10-16(23(18)22-17)13-3-4-15-12(9-13)7-8-19-15/h3-10,14,19,24H,2,11H2,1H3,(H,21,22)/t14-/s2
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n/an/a 960n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]DAMGO binding to Opioid receptor mu


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50259553
PNG
(CHEMBL4074132)
Show SMILES CC(C)[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1/C16H19N5O/c1-11(2)13(10-22)19-15-5-6-16-18-9-14(21(16)20-15)12-4-3-7-17-8-12/h3-9,11,13,22H,10H2,1-2H3,(H,19,20)/t13-/s2
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n/an/a 180n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3


(Mus musculus)
BDBM50259553
PNG
(CHEMBL4074132)
Show SMILES CC(C)[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1/C16H19N5O/c1-11(2)13(10-22)19-15-5-6-16-18-9-14(21(16)20-15)12-4-3-7-17-8-12/h3-9,11,13,22H,10H2,1-2H3,(H,19,20)/t13-/s2
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n/an/a 3.30E+3n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK3 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 3


(Homo sapiens (Human))
BDBM50259408
PNG
(CHEMBL4090770)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
Show InChI InChI=1/C18H19N5O/c1-2-14(11-24)21-17-5-6-18-20-10-16(23(18)22-17)13-3-4-15-12(9-13)7-8-19-15/h3-10,14,19,24H,2,11H2,1H3,(H,21,22)/t14-/s2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK3 expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based scin...


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50259553
PNG
(CHEMBL4074132)
Show SMILES CC(C)[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1/C16H19N5O/c1-11(2)13(10-22)19-15-5-6-16-18-9-14(21(16)20-15)12-4-3-7-17-8-12/h3-9,11,13,22H,10H2,1-2H3,(H,19,20)/t13-/s2
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n/an/a 130n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK1B expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3


(Mus musculus)
BDBM50259408
PNG
(CHEMBL4090770)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
Show InChI InChI=1/C18H19N5O/c1-2-14(11-24)21-17-5-6-18-20-10-16(23(18)22-17)13-3-4-15-12(9-13)7-8-19-15/h3-10,14,19,24H,2,11H2,1H3,(H,21,22)/t14-/s2
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n/an/a 2.10E+4n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK3 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50259553
PNG
(CHEMBL4074132)
Show SMILES CC(C)[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1/C16H19N5O/c1-11(2)13(10-22)19-15-5-6-16-18-9-14(21(16)20-15)12-4-3-7-17-8-12/h3-9,11,13,22H,10H2,1-2H3,(H,19,20)/t13-/s2
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n/an/a 1.40E+3n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 after 30 mins by [gamma-33P]ATP based scintillation counting analysis


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50259553
PNG
(CHEMBL4074132)
Show SMILES CC(C)[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1/C16H19N5O/c1-11(2)13(10-22)19-15-5-6-16-18-9-14(21(16)20-15)12-4-3-7-17-8-12/h3-9,11,13,22H,10H2,1-2H3,(H,19,20)/t13-/s2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK9/cyclin T expressed in insect cells using CDK7/9-tide as substrate after 30 mins by [gamma-33P]ATP based scintill...


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50259553
PNG
(CHEMBL4074132)
Show SMILES CC(C)[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1/C16H19N5O/c1-11(2)13(10-22)19-15-5-6-16-18-9-14(21(16)20-15)12-4-3-7-17-8-12/h3-9,11,13,22H,10H2,1-2H3,(H,19,20)/t13-/s2
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n/an/a 390n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK1A expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50259616
PNG
(CHEMBL511760 | Tert-butyl(5-(1-acetyl-1H-indazol-3...)
Show SMILES CC(=O)n1nc(-c2nc(CNC(=O)OC(C)(C)C)no2)c2ccccc12
Show InChI InChI=1S/C17H19N5O4/c1-10(23)22-12-8-6-5-7-11(12)14(20-22)15-19-13(21-26-15)9-18-16(24)25-17(2,3)4/h5-8H,9H2,1-4H3,(H,18,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6


J Med Chem 52: 2694-707 (2009)


Article DOI: 10.1021/jm801180p
BindingDB Entry DOI: 10.7270/Q2GT5N3B
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50259408
PNG
(CHEMBL4090770)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
Show InChI InChI=1/C18H19N5O/c1-2-14(11-24)21-17-5-6-18-20-10-16(23(18)22-17)13-3-4-15-12(9-13)7-8-19-15/h3-10,14,19,24H,2,11H2,1H3,(H,21,22)/t14-/s2
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n/an/a 210n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50259111
PNG
(CHEMBL466278 | Tert-butyl(5-(1-(3-carbamoylbenzyl)...)
Show SMILES CC(C)(C)OC(=O)NCc1noc(n1)-c1nn(Cc2ccc(cc2)C(N)=O)c2ccccc12
Show InChI InChI=1S/C23H24N6O4/c1-23(2,3)32-22(31)25-12-18-26-21(33-28-18)19-16-6-4-5-7-17(16)29(27-19)13-14-8-10-15(11-9-14)20(24)30/h4-11H,12-13H2,1-3H3,(H2,24,30)(H,25,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6


J Med Chem 52: 2694-707 (2009)


Article DOI: 10.1021/jm801180p
BindingDB Entry DOI: 10.7270/Q2GT5N3B
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50259196
PNG
(CHEMBL467110 | Tert-butyl(5-(1-(4-(1H-pyrazol-1-yl...)
Show SMILES CC(C)(C)OC(=O)NCc1noc(n1)-c1nn(Cc2ccc(cc2)-c2cn[nH]c2)c2ccccc12
Show InChI InChI=1S/C25H25N7O3/c1-25(2,3)34-24(33)26-14-21-29-23(35-31-21)22-19-6-4-5-7-20(19)32(30-22)15-16-8-10-17(11-9-16)18-12-27-28-13-18/h4-13H,14-15H2,1-3H3,(H,26,33)(H,27,28)
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Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6


J Med Chem 52: 2694-707 (2009)


Article DOI: 10.1021/jm801180p
BindingDB Entry DOI: 10.7270/Q2GT5N3B
More data for this
Ligand-Target Pair