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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50001765   
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
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50366992
PNG
(CHEMBL4168754)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@H](O)c1ccccc1 |r|
Show InChI InChI=1S/C17H18N4O4/c18-15-10-6-7-21(16(10)20-8-19-15)17-13(24)12(23)14(25-17)11(22)9-4-2-1-3-5-9/h1-8,11-14,17,22-24H,(H2,18,19,20)/t11-,12+,13-,14-,17-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PRMT5/MEP50 complex (unknown origin) expressed in Sf9 insect cells using SGRGKGGKGLGKGGAKRHRKVLRDK-Biotin as substrate measured after 2...


ACS Med Chem Lett 9: 612-617 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00014
BindingDB Entry DOI: 10.7270/Q2TF00XN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50366992
PNG
(CHEMBL4168754)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@H](O)c1ccccc1 |r|
Show InChI InChI=1S/C17H18N4O4/c18-15-10-6-7-21(16(10)20-8-19-15)17-13(24)12(23)14(25-17)11(22)9-4-2-1-3-5-9/h1-8,11-14,17,22-24H,(H2,18,19,20)/t11-,12+,13-,14-,17-/m1/s1
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antibodypedia
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PC sid
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Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PRMT5 in human MCF7 cells assessed as reduction in SmBB'-Rme2s levels after 48 hrs by Western blot analysis


ACS Med Chem Lett 9: 612-617 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00014
BindingDB Entry DOI: 10.7270/Q2TF00XN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50367026
PNG
(CHEMBL4164229)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@@H](O)c1ccccc1 |r|
Show InChI InChI=1S/C17H18N4O4/c18-15-10-6-7-21(16(10)20-8-19-15)17-13(24)12(23)14(25-17)11(22)9-4-2-1-3-5-9/h1-8,11-14,17,22-24H,(H2,18,19,20)/t11-,12-,13+,14+,17+/m0/s1
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PubMed
n/an/a 1.07E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PRMT5/MEP50 complex (unknown origin) expressed in Sf9 insect cells using SGRGKGGKGLGKGGAKRHRKVLRDK-Biotin as substrate measured after 2...


ACS Med Chem Lett 9: 612-617 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00014
BindingDB Entry DOI: 10.7270/Q2TF00XN
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50366992
PNG
(CHEMBL4168754)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@H](O)c1ccccc1 |r|
Show InChI InChI=1S/C17H18N4O4/c18-15-10-6-7-21(16(10)20-8-19-15)17-13(24)12(23)14(25-17)11(22)9-4-2-1-3-5-9/h1-8,11-14,17,22-24H,(H2,18,19,20)/t11-,12+,13-,14-,17-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
PDB
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PDB
Article
PubMed
n/an/an/an/a 40n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PRMT5 in human MCF7 cells assessed as skipping of Mdm4 exon 6 mRNA splicing after 72 hrs by qRT-PCR method


ACS Med Chem Lett 9: 612-617 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00014
BindingDB Entry DOI: 10.7270/Q2TF00XN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50366992
PNG
(CHEMBL4168754)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@H](O)c1ccccc1 |r|
Show InChI InChI=1S/C17H18N4O4/c18-15-10-6-7-21(16(10)20-8-19-15)17-13(24)12(23)14(25-17)11(22)9-4-2-1-3-5-9/h1-8,11-14,17,22-24H,(H2,18,19,20)/t11-,12+,13-,14-,17-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 6n/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PRMT5/MEP50 complex (unknown origin) expressed in Sf9 insect cells using SGRGKGGKGLGKGGAKRHRKVLRDK-Biotin as substrate by surface plasm...


ACS Med Chem Lett 9: 612-617 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00014
BindingDB Entry DOI: 10.7270/Q2TF00XN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)