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Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50046324   
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
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens)
BDBM50105913
PNG
(CHEMBL3597991)
Show SMILES c1ncc(s1)-c1cc(cs1)-c1cccnc1
Show InChI InChI=1S/C12H8N2S2/c1-2-9(5-13-3-1)10-4-11(15-7-10)12-6-14-8-16-12/h1-8H
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PubMed
n/an/a 40n/an/an/an/an/an/a



India; Academy of Scientific& Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-fused Dyrk2 expressed in Escherichia coli using Woodtide as substrate after 15 mins by P81 membrane assay in pres...


Bioorg Med Chem Lett 25: 2948-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.034
BindingDB Entry DOI: 10.7270/Q21V5GR3
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50105913
PNG
(CHEMBL3597991)
Show SMILES c1ncc(s1)-c1cc(cs1)-c1cccnc1
Show InChI InChI=1S/C12H8N2S2/c1-2-9(5-13-3-1)10-4-11(15-7-10)12-6-14-8-16-12/h1-8H
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n/an/a 70n/an/an/an/an/an/a



India; Academy of Scientific& Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dyrk1B using Woodtide as substrate after 15 mins by P81 membrane assay in presence of [33P]-g-ATP


Bioorg Med Chem Lett 25: 2948-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.034
BindingDB Entry DOI: 10.7270/Q21V5GR3
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(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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PubMed
n/an/a 80n/an/an/an/an/an/a



India; Academy of Scientific& Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A (unknown origin) using dynatide 3 as substrate after 10 mins by P81 membrane assay in presence of [33P]-g-ATP


Bioorg Med Chem Lett 25: 2948-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.034
BindingDB Entry DOI: 10.7270/Q21V5GR3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50105913
PNG
(CHEMBL3597991)
Show SMILES c1ncc(s1)-c1cc(cs1)-c1cccnc1
Show InChI InChI=1S/C12H8N2S2/c1-2-9(5-13-3-1)10-4-11(15-7-10)12-6-14-8-16-12/h1-8H
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n/an/a 100n/an/an/an/an/an/a



India; Academy of Scientific& Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged Dyrk1A expressed in Escherichia coli using Woodtide as substrate after 15 mins by P81 membrane assay in p...


Bioorg Med Chem Lett 25: 2948-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.034
BindingDB Entry DOI: 10.7270/Q21V5GR3
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50445253
PNG
(CHEMBL1232500)
Show SMILES CCN1C(Sc2ccc(O)cc12)=CC(C)=O
Show InChI InChI=1S/C12H13NO2S/c1-3-13-10-7-9(15)4-5-11(10)16-12(13)6-8(2)14/h4-7,15H,3H2,1-2H3
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PubMed
n/an/a 240n/an/an/an/an/an/a



India; Academy of Scientific& Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A (unknown origin)


Bioorg Med Chem Lett 25: 2948-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.034
BindingDB Entry DOI: 10.7270/Q21V5GR3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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PubMed
n/an/a 330n/an/an/an/an/an/a



India; Academy of Scientific& Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of rat Dyrk1A using Woodtide as substrate after 40 mins by P81 membrane assay in presence of [33P]-g-ATP


Bioorg Med Chem Lett 25: 2948-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.034
BindingDB Entry DOI: 10.7270/Q21V5GR3
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50105912
PNG
(CHEMBL3133762)
Show SMILES Nc1nccc(n1)-c1cn(C(=O)N2CCOCC2)c2ccc(Br)cc12
Show InChI InChI=1S/C17H16BrN5O2/c18-11-1-2-15-12(9-11)13(14-3-4-20-16(19)21-14)10-23(15)17(24)22-5-7-25-8-6-22/h1-4,9-10H,5-8H2,(H2,19,20,21)
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n/an/a 500n/an/an/an/an/an/a



India; Academy of Scientific& Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A (unknown origin) using Woodtide as substrate after 30 mins by P81 membrane assay in presence of [33P]-g-ATP


Bioorg Med Chem Lett 25: 2948-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.034
BindingDB Entry DOI: 10.7270/Q21V5GR3
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50105918
PNG
(CHEMBL3426272)
Show SMILES Nc1nccc(n1)-c1cn(c2ccc(Br)cc12)S(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C19H11BrF3N5O4S/c20-11-2-3-15-12(8-11)13(14-5-6-25-18(24)26-14)9-27(15)33(31,32)17-4-1-10(19(21,22)23)7-16(17)28(29)30/h1-9H,(H2,24,25,26)
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n/an/a 530n/an/an/an/an/an/a



India; Academy of Scientific& Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A (unknown origin) using Woodtide as substrate after 30 mins by P81 membrane assay in presence of [33P]-g-ATP


Bioorg Med Chem Lett 25: 2948-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.034
BindingDB Entry DOI: 10.7270/Q21V5GR3
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50105916
PNG
(CHEMBL3133768)
Show SMILES Nc1nccc(n1)-c1cn(C(=O)c2ccccc2)c2ccc(Br)cc12
Show InChI InChI=1S/C19H13BrN4O/c20-13-6-7-17-14(10-13)15(16-8-9-22-19(21)23-16)11-24(17)18(25)12-4-2-1-3-5-12/h1-11H,(H2,21,22,23)
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PubMed
n/an/a 830n/an/an/an/an/an/a



India; Academy of Scientific& Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A (unknown origin) using Woodtide as substrate after 30 mins by P81 membrane assay in presence of [33P]-g-ATP


Bioorg Med Chem Lett 25: 2948-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.034
BindingDB Entry DOI: 10.7270/Q21V5GR3
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50026622
PNG
(CHEMBL408982)
Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C\C(C)=O
Show InChI InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-
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PubMed
n/an/a 930n/an/an/an/an/an/a



India; Academy of Scientific& Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A (unknown origin)


Bioorg Med Chem Lett 25: 2948-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.034
BindingDB Entry DOI: 10.7270/Q21V5GR3
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50105914
PNG
(CHEMBL3133776)
Show SMILES COCCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc12
Show InChI InChI=1S/C15H15BrN4O/c1-21-7-6-20-9-12(13-4-5-18-15(17)19-13)11-8-10(16)2-3-14(11)20/h2-5,8-9H,6-7H2,1H3,(H2,17,18,19)
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n/an/a 1.30E+3n/an/an/an/an/an/a



India; Academy of Scientific& Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A (unknown origin) using Woodtide as substrate after 30 mins by P81 membrane assay in presence of [33P]-g-ATP


Bioorg Med Chem Lett 25: 2948-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.034
BindingDB Entry DOI: 10.7270/Q21V5GR3
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens)
BDBM50105912
PNG
(CHEMBL3133762)
Show SMILES Nc1nccc(n1)-c1cn(C(=O)N2CCOCC2)c2ccc(Br)cc12
Show InChI InChI=1S/C17H16BrN5O2/c18-11-1-2-15-12(9-11)13(14-3-4-20-16(19)21-14)10-23(15)17(24)22-5-7-25-8-6-22/h1-4,9-10H,5-8H2,(H2,19,20,21)
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n/an/a 1.40E+3n/an/an/an/an/an/a



India; Academy of Scientific& Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of Dyrk2 (unknown origin) using Woodtide as substrate after 30 mins by P81 membrane assay in presence of [33P]-g-ATP


Bioorg Med Chem Lett 25: 2948-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.034
BindingDB Entry DOI: 10.7270/Q21V5GR3
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50105917
PNG
(CHEMBL3133771)
Show SMILES Cc1noc(C)c1Cn1cc(-c2ccnc(N)n2)c2cc(Br)ccc12
Show InChI InChI=1S/C18H16BrN5O/c1-10-14(11(2)25-23-10)8-24-9-15(16-5-6-21-18(20)22-16)13-7-12(19)3-4-17(13)24/h3-7,9H,8H2,1-2H3,(H2,20,21,22)
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n/an/a 1.80E+3n/an/an/an/an/an/a



India; Academy of Scientific& Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A (unknown origin) using Woodtide as substrate after 30 mins by P81 membrane assay in presence of [33P]-g-ATP


Bioorg Med Chem Lett 25: 2948-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.034
BindingDB Entry DOI: 10.7270/Q21V5GR3
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 3


(Homo sapiens)
BDBM50105912
PNG
(CHEMBL3133762)
Show SMILES Nc1nccc(n1)-c1cn(C(=O)N2CCOCC2)c2ccc(Br)cc12
Show InChI InChI=1S/C17H16BrN5O2/c18-11-1-2-15-12(9-11)13(14-3-4-20-16(19)21-14)10-23(15)17(24)22-5-7-25-8-6-22/h1-4,9-10H,5-8H2,(H2,19,20,21)
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n/an/a 2.20E+3n/an/an/an/an/an/a



India; Academy of Scientific& Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of Dyrk3 (unknown origin) using Woodtide as substrate after 30 mins by P81 membrane assay in presence of [33P]-g-ATP


Bioorg Med Chem Lett 25: 2948-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.034
BindingDB Entry DOI: 10.7270/Q21V5GR3
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50105915
PNG
(CHEMBL3133767)
Show SMILES Nc1nccc(n1)-c1cn(C(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H14N4O/c20-19-21-11-10-16(22-19)15-12-23(17-9-5-4-8-14(15)17)18(24)13-6-2-1-3-7-13/h1-12H,(H2,20,21,22)
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n/an/a 3.10E+3n/an/an/an/an/an/a



India; Academy of Scientific& Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A (unknown origin) using Woodtide as substrate after 30 mins by P81 membrane assay in presence of [33P]-g-ATP


Bioorg Med Chem Lett 25: 2948-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.034
BindingDB Entry DOI: 10.7270/Q21V5GR3
More data for this
Ligand-Target Pair