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Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'katagiri' and Initial = 't'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50560578
PNG
(CHEMBL4795328)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC(F)F)c(c2)C2=CCNCCC2)n1 |t:20|
PDB

UniProtKB/SwissProt

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UniChem
Article
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n/an/a 3.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition G9a (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50560569
PNG
(CHEMBL4741874)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCNCCC2)n1 |t:18|
PDB

UniProtKB/SwissProt

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PC sid
PDB
UniChem
PDB
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PubMed
n/an/a 4.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition G9a (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50560575
PNG
(CHEMBL4756618)
Show SMILES CNc1cc(C)nc(Nc2ccc(Cl)c(c2)C2=CCNCCC2)n1 |t:17|
PDB

UniProtKB/SwissProt

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UniChem
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n/an/a 6.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition G9a (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50560572
PNG
(CHEMBL4747198)
Show SMILES CCN1CCCC(=CC1)c1cc(Nc2nc(C)cc(NC)n2)ccc1OC |c:6|
PDB

UniProtKB/SwissProt

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UniChem
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition G9a (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50560576
PNG
(CHEMBL4741567)
Show SMILES CNc1cc(C)nc(Nc2ccc(C)c(c2)C2=CCNCCC2)n1 |t:17|
PDB

UniProtKB/SwissProt

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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition G9a (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50560568
PNG
(CHEMBL4752510)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCN(C)CCC2)n1 |t:18|
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition G9a (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50560578
PNG
(CHEMBL4795328)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC(F)F)c(c2)C2=CCNCCC2)n1 |t:20|
PDB
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLP (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50560577
PNG
(CHEMBL4783331)
Show SMILES CNc1cc(C)nc(Nc2ccc(C#N)c(c2)C2=CCNCCC2)n1 |t:18|
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition G9a (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50560561
PNG
(CHEMBL4759665)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC)c(OCCCN3CCCC3)c2)n1
PDB

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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition G9a (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Activin receptor type-1


(Homo sapiens (Human))
BDBM50557476
PNG
(CHEMBL4748071)
Show SMILES COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2cccnc2)cc1
PDB

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n/an/a 18n/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay


Bioorg Med Chem Lett 12: 2743-7 (2002)


Article DOI: 10.1016/j.bmcl.2021.127858
BindingDB Entry DOI: 10.7270/Q25M69C9
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50557474
PNG
(CHEMBL4744674)
Show SMILES C1CN(CCN1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2cccnc2)cc1
PDB

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n/an/a 22n/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay


Bioorg Med Chem Lett 12: 2743-7 (2002)


Article DOI: 10.1016/j.bmcl.2021.127858
BindingDB Entry DOI: 10.7270/Q25M69C9
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50557475
PNG
(CHEMBL4776838)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2cccnc2)cc1
PDB

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n/an/a 25n/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay


Bioorg Med Chem Lett 12: 2743-7 (2002)


Article DOI: 10.1016/j.bmcl.2021.127858
BindingDB Entry DOI: 10.7270/Q25M69C9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Activin receptor type-1


(Homo sapiens (Human))
BDBM50557481
PNG
(CHEMBL4749744)
Show SMILES COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3CCCCn3nc2-c2cccnc2)cc1
PDB

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n/an/a 25n/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay


Bioorg Med Chem Lett 12: 2743-7 (2002)


Article DOI: 10.1016/j.bmcl.2021.127858
BindingDB Entry DOI: 10.7270/Q25M69C9
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50560575
PNG
(CHEMBL4756618)
Show SMILES CNc1cc(C)nc(Nc2ccc(Cl)c(c2)C2=CCNCCC2)n1 |t:17|
PDB
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n/an/a 27n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLP (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50560571
PNG
(CHEMBL4753571)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2CCCNCC2)n1
PDB

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PC sid
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n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
Inhibition G9a (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50557480
PNG
(CHEMBL4797111)
Show SMILES COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3CCCn3nc2-c2cccnc2)cc1
PDB

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n/an/a 29n/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay


Bioorg Med Chem Lett 12: 2743-7 (2002)


Article DOI: 10.1016/j.bmcl.2021.127858
BindingDB Entry DOI: 10.7270/Q25M69C9
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50560569
PNG
(CHEMBL4741874)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCNCCC2)n1 |t:18|
PDB
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n/an/a 32n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLP (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50560577
PNG
(CHEMBL4783331)
Show SMILES CNc1cc(C)nc(Nc2ccc(C#N)c(c2)C2=CCNCCC2)n1 |t:18|
PDB
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n/an/a 43n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLP (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50560572
PNG
(CHEMBL4747198)
Show SMILES CCN1CCCC(=CC1)c1cc(Nc2nc(C)cc(NC)n2)ccc1OC |c:6|
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n/an/a 44n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLP (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50548247
PNG
(CHEMBL4755730)
Show SMILES CC1(C)Cc2cc(ccc2-c2ncnc(N)c12)C(=C)C1CCNCC1
PDB
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n/an/a 54n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DYRK1a (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.09.010
BindingDB Entry DOI: 10.7270/Q2HT2SZC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Activin receptor type-1


(Homo sapiens (Human))
BDBM50557473
PNG
(CHEMBL4749510)
Show SMILES C1CN(CCO1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2cccnc2)cc1
PDB

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n/an/a 66n/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay


Bioorg Med Chem Lett 12: 2743-7 (2002)


Article DOI: 10.1016/j.bmcl.2021.127858
BindingDB Entry DOI: 10.7270/Q25M69C9
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50560568
PNG
(CHEMBL4752510)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCN(C)CCC2)n1 |t:18|
PDB
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n/an/a 74n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLP (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50560570
PNG
(CHEMBL4747939)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCCNCC2)n1 |t:18|
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n/an/a 83n/an/an/an/an/an/a


TBA

Assay Description
Inhibition G9a (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50560563
PNG
(CHEMBL4779949)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCN(C)CC2)n1 |t:18|
PDB

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n/an/a 93n/an/an/an/an/an/a


TBA

Assay Description
Inhibition G9a (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50560576
PNG
(CHEMBL4741567)
Show SMILES CNc1cc(C)nc(Nc2ccc(C)c(c2)C2=CCNCCC2)n1 |t:17|
PDB
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n/an/a 109n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLP (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50560573
PNG
(CHEMBL4757236)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCN(CCC2)C2CCC2)n1 |t:18|
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n/an/a 145n/an/an/an/an/an/a


TBA

Assay Description
Inhibition G9a (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50557472
PNG
(CHEMBL4747414)
Show SMILES COc1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2cccnc2)cc1
PDB

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n/an/a 167n/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay


Bioorg Med Chem Lett 12: 2743-7 (2002)


Article DOI: 10.1016/j.bmcl.2021.127858
BindingDB Entry DOI: 10.7270/Q25M69C9
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50560561
PNG
(CHEMBL4759665)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC)c(OCCCN3CCCC3)c2)n1
PDB
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n/an/a 185n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLP (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50560574
PNG
(CHEMBL4743259)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCN(CCO)CCC2)n1 |t:18|
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n/an/a 213n/an/an/an/an/an/a


TBA

Assay Description
Inhibition G9a (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50560564
PNG
(CHEMBL4745864)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCNCC2)n1 |t:18|
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PC sid
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n/an/a 225n/an/an/an/an/an/a


TBA

Assay Description
Inhibition G9a (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50557477
PNG
(CHEMBL4760836)
Show SMILES COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2ccccc2)cc1
PDB

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n/an/a 276n/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay


Bioorg Med Chem Lett 12: 2743-7 (2002)


Article DOI: 10.1016/j.bmcl.2021.127858
BindingDB Entry DOI: 10.7270/Q25M69C9
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50560563
PNG
(CHEMBL4779949)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCN(C)CC2)n1 |t:18|
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n/an/a 277n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLP (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50548249
PNG
(CHEMBL4741586)
Show SMILES COc1ccc-2c(CC(C)(C)c3c(N)ncnc-23)c1
PDB
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n/an/a 330n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DYRK1a (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.09.010
BindingDB Entry DOI: 10.7270/Q2HT2SZC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50560571
PNG
(CHEMBL4753571)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2CCCNCC2)n1
PDB
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n/an/a 342n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLP (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50560562
PNG
(CHEMBL4742769)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCCN(C)C2)n1 |t:18|
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n/an/a 451n/an/an/an/an/an/a


TBA

Assay Description
Inhibition G9a (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50560570
PNG
(CHEMBL4747939)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCCNCC2)n1 |t:18|
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n/an/a 479n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLP (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50548248
PNG
(CHEMBL4758817)
Show SMILES CC1(C)Cc2cc(OC3CCNCC3)ccc2-c2ncnc(N)c12
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n/an/a 560n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DYRK1a (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.09.010
BindingDB Entry DOI: 10.7270/Q2HT2SZC
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50560565
PNG
(CHEMBL4755416)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2CCN(C)CC2)n1
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n/an/a 588n/an/an/an/an/an/a


TBA

Assay Description
Inhibition G9a (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50557478
PNG
(CHEMBL4793870)
Show SMILES COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2ccccn2)cc1
PDB

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n/an/a 665n/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay


Bioorg Med Chem Lett 12: 2743-7 (2002)


Article DOI: 10.1016/j.bmcl.2021.127858
BindingDB Entry DOI: 10.7270/Q25M69C9
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50557471
PNG
(CHEMBL4798765)
Show SMILES COc1ccc(Nc2nccc(n2)-c2c[nH]nc2-c2cccnc2)cc1
PDB

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n/an/a 684n/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay


Bioorg Med Chem Lett 12: 2743-7 (2002)


Article DOI: 10.1016/j.bmcl.2021.127858
BindingDB Entry DOI: 10.7270/Q25M69C9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50560579
PNG
(CHEMBL4776077)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC(F)(F)F)c(c2)C2=CCNCCC2)n1 |t:21|
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n/an/a 853n/an/an/an/an/an/a


TBA

Assay Description
Inhibition G9a (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50560562
PNG
(CHEMBL4742769)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCCN(C)C2)n1 |t:18|
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n/an/a 864n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLP (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50560573
PNG
(CHEMBL4757236)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCN(CCC2)C2CCC2)n1 |t:18|
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n/an/a 1.07E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLP (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50560564
PNG
(CHEMBL4745864)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCNCC2)n1 |t:18|
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n/an/a 1.16E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLP (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50560567
PNG
(CHEMBL4752807)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCN(C)C2)n1 |t:18|
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n/an/a 1.49E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition G9a (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50560574
PNG
(CHEMBL4743259)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCN(CCO)CCC2)n1 |t:18|
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n/an/a 1.59E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLP (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50548246
PNG
(CHEMBL4741261)
Show SMILES COc1ccc-2c(CC(C)(C)c3c(N)nc(C)nc-23)c1
PDB
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n/an/a 2.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DYRK1a (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.09.010
BindingDB Entry DOI: 10.7270/Q2HT2SZC
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50560567
PNG
(CHEMBL4752807)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCN(C)C2)n1 |t:18|
PDB
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n/an/a 2.77E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLP (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50557479
PNG
(CHEMBL4799263)
Show SMILES COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2ccncc2)cc1
PDB

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n/an/a 2.89E+3n/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay


Bioorg Med Chem Lett 12: 2743-7 (2002)


Article DOI: 10.1016/j.bmcl.2021.127858
BindingDB Entry DOI: 10.7270/Q25M69C9
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50560579
PNG
(CHEMBL4776077)
Show SMILES CNc1cc(C)nc(Nc2ccc(OC(F)(F)F)c(c2)C2=CCNCCC2)n1 |t:21|
PDB
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n/an/a 3.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLP (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW
More data for this
Ligand-Target Pair
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