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Compile Data Set for Download or QSAR

Found 1171 hits of ic50 for UniProtKB: A0A024R0H7   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50462572
PNG
(CHEMBL4249337)
Show SMILES Nc1nc2cc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)ccc2cc1Br
Show InChI InChI=1S/C22H23BrN6O2/c23-15-8-12-3-1-11(7-16(12)28-21(15)25)2-4-13-9-17(19(31)18(13)30)29-6-5-14-20(24)26-10-27-22(14)29/h1,3,5-8,10,13,17-19,30-31H,2,4,9H2,(H2,25,28)(H2,24,26,27)/t13-,17+,18+,19-/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full-length human N-terminal FLAG-tagged PRMT5/full length N-terminal His6-tagged MEP50 (unknown origin) expressed in baculovirus infec...


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50523629
PNG
(CHEMBL4564327)
Show SMILES Cc1cnc2cc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)c(Cl)cn12
Show InChI InChI=1S/C21H23ClN6O2/c1-11-8-24-17-7-12(15(22)9-28(11)17)2-3-13-6-16(19(30)18(13)29)27-5-4-14-20(23)25-10-26-21(14)27/h4-5,7-10,13,16,18-19,29-30H,2-3,6H2,1H3,(H2,23,25,26)/t13-,16+,18+,19-/m0/s1
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n/an/a 0.160n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full-length human N-terminal FLAG-tagged PRMT5/full length N-terminal His6-tagged MEP50 (unknown origin) expressed in baculovirus infec...


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50523642
PNG
(CHEMBL4539612)
Show SMILES Cc1nc2cc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)ccn2c1C
Show InChI InChI=1S/C22H26N6O2/c1-12-13(2)27-7-5-14(9-18(27)26-12)3-4-15-10-17(20(30)19(15)29)28-8-6-16-21(23)24-11-25-22(16)28/h5-9,11,15,17,19-20,29-30H,3-4,10H2,1-2H3,(H2,23,24,25)/t15-,17+,19+,20-/m0/s1
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n/an/a<0.200n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full-length human N-terminal FLAG-tagged PRMT5/full length N-terminal His6-tagged MEP50 (unknown origin) expressed in baculovirus infec...


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50523646
PNG
(CHEMBL4541714)
Show SMILES Nc1ccc2ccc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)cc2n1
Show InChI InChI=1S/C22H24N6O2/c23-18-6-5-13-3-1-12(9-16(13)27-18)2-4-14-10-17(20(30)19(14)29)28-8-7-15-21(24)25-11-26-22(15)28/h1,3,5-9,11,14,17,19-20,29-30H,2,4,10H2,(H2,23,27)(H2,24,25,26)/t14-,17+,19+,20-/m0/s1
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n/an/a 0.25n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full-length human N-terminal FLAG-tagged PRMT5/full length N-terminal His6-tagged MEP50 (unknown origin) expressed in baculovirus infec...


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50523655
PNG
(CHEMBL4577464)
Show SMILES Cc1cnc2cc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)c(F)cn12
Show InChI InChI=1S/C21H23FN6O2/c1-11-8-24-17-7-12(15(22)9-28(11)17)2-3-13-6-16(19(30)18(13)29)27-5-4-14-20(23)25-10-26-21(14)27/h4-5,7-10,13,16,18-19,29-30H,2-3,6H2,1H3,(H2,23,25,26)/t13-,16+,18+,19-/m0/s1
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n/an/a 0.320n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full-length human N-terminal FLAG-tagged PRMT5/full length N-terminal His6-tagged MEP50 (unknown origin) expressed in baculovirus infec...


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50523643
PNG
(CHEMBL4454890)
Show SMILES Nc1cccc(CCCC[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2ccc3c(N)ncnc23)n1
Show InChI InChI=1S/C20H26N6O2/c21-16-7-3-6-13(25-16)5-2-1-4-12-10-15(18(28)17(12)27)26-9-8-14-19(22)23-11-24-20(14)26/h3,6-9,11-12,15,17-18,27-28H,1-2,4-5,10H2,(H2,21,25)(H2,22,23,24)/t12-,15+,17+,18-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full-length human N-terminal FLAG-tagged PRMT5/full length N-terminal His6-tagged MEP50 (unknown origin) expressed in baculovirus infec...


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM435525
PNG
((2R,3S,4R,5R)-2-(((2-amino-3- bromoquinolin-7-yl)o...)
Show SMILES C[C@@]1(O)[C@@H](COc2ccc3cc(Br)c(N)nc3c2)O[C@H]([C@@H]1O)n1ccc2c(N)ncnc12
Show InChI InChI=1S/C21H21BrN6O4/c1-21(30)15(8-31-11-3-2-10-6-13(22)18(24)27-14(10)7-11)32-20(16(21)29)28-5-4-12-17(23)25-9-26-19(12)28/h2-7,9,15-16,20,29-30H,8H2,1H3,(H2,24,27)(H2,23,25,26)/t15-,16+,20-,21-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Prelude Therapeutics Incorporated

US Patent


Assay Description
Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5,...


US Patent US10570140 (2020)


BindingDB Entry DOI: 10.7270/Q2WM1GTT
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50523663
PNG
(CHEMBL4536042)
Show SMILES N\N=c1/nc[nH]c2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O
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n/an/a 0.600n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of PRMT5 (unknown origin)/MEP50 (unknown origin) using histone H2 as substrate preincubated for 15 to 20 mins followed by S-[methyl-3H]ade...


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM435509
PNG
((2R,3S,4R,5R)-5-(4-amino-7H- pyrrolo[2,3-d]pyrimid...)
Show SMILES C[C@@]1(O)[C@@H](COc2ccc3ccc(N)nc3c2)O[C@H]([C@@H]1O)n1ccc2c(N)ncnc12
Show InChI InChI=1S/C21H22N6O4/c1-21(29)15(9-30-12-4-2-11-3-5-16(22)26-14(11)8-12)31-20(17(21)28)27-7-6-13-18(23)24-10-25-19(13)27/h2-8,10,15,17,20,28-29H,9H2,1H3,(H2,22,26)(H2,23,24,25)/t15-,17+,20-,21-/m1/s1
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n/an/a 0.75n/an/an/an/an/an/a



Prelude Therapeutics Incorporated

US Patent


Assay Description
Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5,...


US Patent US10570140 (2020)


BindingDB Entry DOI: 10.7270/Q2WM1GTT
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50523641
PNG
(CHEMBL4543007)
Show SMILES Nc1ncnc2n(ccc12)[C@@H]1C[C@H](CCc2ccc3ccc(NCC4CC4)nc3c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C26H30N6O2/c27-25-19-9-10-32(26(19)30-14-29-25)21-12-18(23(33)24(21)34)6-4-15-3-5-17-7-8-22(31-20(17)11-15)28-13-16-1-2-16/h3,5,7-11,14,16,18,21,23-24,33-34H,1-2,4,6,12-13H2,(H,28,31)(H2,27,29,30)/t18-,21+,23+,24-/m0/s1
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n/an/a 0.790n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full-length human N-terminal FLAG-tagged PRMT5/full length N-terminal His6-tagged MEP50 (unknown origin) expressed in baculovirus infec...


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM435657
PNG
((2R,3S,4R,5R)-2-(((2-amino-3- bromoquinolin-7-yl)o...)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H](COc2ccc3cc(Br)c(N)nc3c2)[C@@](C)(O)[C@H]1O
Show InChI InChI=1S/C22H22BrN5O4/c1-11-14-5-6-28(20(14)26-10-25-11)21-18(29)22(2,30)17(32-21)9-31-13-4-3-12-7-15(23)19(24)27-16(12)8-13/h3-8,10,17-18,21,29-30H,9H2,1-2H3,(H2,24,27)/t17-,18+,21-,22-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Prelude Therapeutics Incorporated

US Patent


Assay Description
Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5,...


US Patent US10570140 (2020)


BindingDB Entry DOI: 10.7270/Q2WM1GTT
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50523656
PNG
(CHEMBL4579773)
Show SMILES Cc1cnc2cc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)ccn12
Show InChI InChI=1S/C21H24N6O2/c1-12-10-23-17-8-13(4-6-26(12)17)2-3-14-9-16(19(29)18(14)28)27-7-5-15-20(22)24-11-25-21(15)27/h4-8,10-11,14,16,18-19,28-29H,2-3,9H2,1H3,(H2,22,24,25)/t14-,16+,18+,19-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full-length human N-terminal FLAG-tagged PRMT5/full length N-terminal His6-tagged MEP50 (unknown origin) expressed in baculovirus infec...


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM435523
PNG
((2R,3S,4R,5R)-5-(4-amino-5-fluoro-7H- pyrrolo[2,3-...)
Show SMILES C[C@@]1(O)[C@@H](COc2ccc3ccc(N)nc3c2)O[C@H]([C@@H]1O)n1cc(F)c2c(N)ncnc12
Show InChI InChI=1S/C21H21FN6O4/c1-21(30)14(8-31-11-4-2-10-3-5-15(23)27-13(10)6-11)32-20(17(21)29)28-7-12(22)16-18(24)25-9-26-19(16)28/h2-7,9,14,17,20,29-30H,8H2,1H3,(H2,23,27)(H2,24,25,26)/t14-,17+,20-,21-/m1/s1
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n/an/a 0.850n/an/an/an/an/an/a



Prelude Therapeutics Incorporated

US Patent


Assay Description
Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5,...


US Patent US10570140 (2020)


BindingDB Entry DOI: 10.7270/Q2WM1GTT
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM435710
PNG
((2R,3S,4R,5R)-5-(4-amino-7H- pyrrolo[2,3-d]pyrimid...)
Show SMILES Cc1cnc2cc(OC[C@H]3O[C@H]([C@H](O)[C@]3(C)O)n3ccc4c(N)ncnc34)ccn12
Show InChI InChI=1S/C20H22N6O4/c1-11-8-22-15-7-12(3-5-25(11)15)29-9-14-20(2,28)16(27)19(30-14)26-6-4-13-17(21)23-10-24-18(13)26/h3-8,10,14,16,19,27-28H,9H2,1-2H3,(H2,21,23,24)/t14-,16+,19-,20-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Prelude Therapeutics Incorporated

US Patent


Assay Description
Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5,...


US Patent US10570140 (2020)


BindingDB Entry DOI: 10.7270/Q2WM1GTT
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM415554
PNG
((2R,3R,4S,5R)-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H16F2N4O4/c18-9-2-1-7(5-10(9)19)11(24)14-12(25)13(26)17(27-14)23-4-3-8-15(20)21-6-22-16(8)23/h1-6,11-14,17,24-26H,(H2,20,21,22)/t11-,12+,13-,14-,17-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal FLAG-tagged PRMT5 (unknown origin)/MEP50 (unknown origin) expressed in baculovirus infected Sf21 insect cells us...


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM415556
PNG
(US10428104, Example 87)
Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H17ClN4O4/c18-9-3-1-8(2-4-9)11(23)14-12(24)13(25)17(26-14)22-6-5-10-15(19)20-7-21-16(10)22/h1-7,11-14,17,23-25H,(H2,19,20,21)/t11-,12+,13-,14-,17-/m1/s1
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Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal FLAG-tagged PRMT5 (unknown origin)/MEP50 (unknown origin) expressed in baculovirus infected Sf21 insect cells us...


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM435709
PNG
((2R,3S,4R,5R)-3-methyl-5-(4-methyl-7H- pyrrolo[2,3...)
Show SMILES Cc1cnc2cc(OC[C@H]3O[C@H]([C@H](O)[C@]3(C)O)n3ccc4c(C)ncnc34)ccn12
Show InChI InChI=1S/C21H23N5O4/c1-12-9-22-17-8-14(4-6-25(12)17)29-10-16-21(3,28)18(27)20(30-16)26-7-5-15-13(2)23-11-24-19(15)26/h4-9,11,16,18,20,27-28H,10H2,1-3H3/t16-,18+,20-,21-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Prelude Therapeutics Incorporated

US Patent


Assay Description
Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5,...


US Patent US10570140 (2020)


BindingDB Entry DOI: 10.7270/Q2WM1GTT
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM435524
PNG
((2R,3S,4R,5R)-2-(((2-aminoquinolin-7- yl)oxy)methy...)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H](COc2ccc3ccc(N)nc3c2)[C@@](C)(O)[C@H]1O
Show InChI InChI=1S/C22H23N5O4/c1-12-15-7-8-27(20(15)25-11-24-12)21-19(28)22(2,29)17(31-21)10-30-14-5-3-13-4-6-18(23)26-16(13)9-14/h3-9,11,17,19,21,28-29H,10H2,1-2H3,(H2,23,26)/t17-,19+,21-,22-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Prelude Therapeutics Incorporated

US Patent


Assay Description
Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5,...


US Patent US10570140 (2020)


BindingDB Entry DOI: 10.7270/Q2WM1GTT
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM435651
PNG
((2R,3S,4R,5R)-5-(4-amino-7H- pyrrolo[2,3-d]pyrimid...)
Show SMILES C[C@]1(O)[C@@H](O)[C@@H](O[C@@H]1[C@H](O)c1ccc(Cl)c(Cl)c1)n1ccc2c(N)ncnc12
Show InChI InChI=1S/C18H18Cl2N4O4/c1-18(27)13(26)17(24-5-4-9-15(21)22-7-23-16(9)24)28-14(18)12(25)8-2-3-10(19)11(20)6-8/h2-7,12-14,17,25-27H,1H3,(H2,21,22,23)/t12-,13+,14-,17-,18+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Prelude Therapeutics Incorporated

US Patent


Assay Description
Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5,...


US Patent US10570140 (2020)


BindingDB Entry DOI: 10.7270/Q2WM1GTT
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM435518
PNG
((2R,3S,4R,5R)-5-(4-amino-7H- pyrrolo[2,3-d]pyrimid...)
Show SMILES Nc1ccc2ccc(OC[C@H]3O[C@H]([C@H](O)[C@@]3(O)C#C)n3ccc4c(N)ncnc34)cc2n1
Show InChI InChI=1S/C22H20N6O4/c1-2-22(30)16(10-31-13-5-3-12-4-6-17(23)27-15(12)9-13)32-21(18(22)29)28-8-7-14-19(24)25-11-26-20(14)28/h1,3-9,11,16,18,21,29-30H,10H2,(H2,23,27)(H2,24,25,26)/t16-,18+,21-,22-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Prelude Therapeutics Incorporated

US Patent


Assay Description
Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5,...


US Patent US10570140 (2020)


BindingDB Entry DOI: 10.7270/Q2WM1GTT
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM435516
PNG
((2R,3S,4R,5R)-5-(4-amino-7H- pyrrolo[2,3-d]pyrimid...)
Show SMILES Nc1ccc2ccc(OC[C@H]3O[C@H]([C@H](O)[C@@]3(O)C(F)(F)F)n3ccc4c(N)ncnc34)cc2n1
Show InChI InChI=1S/C21H19F3N6O4/c22-21(23,24)20(32)14(8-33-11-3-1-10-2-4-15(25)29-13(10)7-11)34-19(16(20)31)30-6-5-12-17(26)27-9-28-18(12)30/h1-7,9,14,16,19,31-32H,8H2,(H2,25,29)(H2,26,27,28)/t14-,16+,19-,20-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Prelude Therapeutics Incorporated

US Patent


Assay Description
Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5,...


US Patent US10570140 (2020)


BindingDB Entry DOI: 10.7270/Q2WM1GTT
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM415529
PNG
((Scheme R) (2R,3R,4S,5R)-2-(4-amino-5-fluoro-7H-py...)
Show SMILES Nc1ncnc2n(cc(F)c12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H15F3N4O4/c18-7-2-1-6(3-8(7)19)11(25)14-12(26)13(27)17(28-14)24-4-9(20)10-15(21)22-5-23-16(10)24/h1-5,11-14,17,25-27H,(H2,21,22,23)/t11-,12+,13-,14-,17-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal FLAG-tagged PRMT5 (unknown origin)/MEP50 (unknown origin) expressed in baculovirus infected Sf21 insect cells us...


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50523636
PNG
(CHEMBL4457371)
Show SMILES Nc1ncnc2n(ccc12)[C@@H]1C[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H18F2N4O3/c19-11-2-1-8(5-12(11)20)14(25)10-6-13(16(27)15(10)26)24-4-3-9-17(21)22-7-23-18(9)24/h1-5,7,10,13-16,25-27H,6H2,(H2,21,22,23)/t10-,13-,14-,15-,16+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of PRMT5 (unknown origin)/MEP50 (unknown origin) using histone H2 as substrate preincubated for 15 to 20 mins followed by S-[methyl-3H]ade...


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50523639
PNG
(CHEMBL4460965)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H15F2N5O4/c17-7-2-1-6(3-8(7)18)10(24)13-11(25)12(26)16(27-13)23-5-22-9-14(19)20-4-21-15(9)23/h1-5,10-13,16,24-26H,(H2,19,20,21)/t10-,11+,12-,13-,16-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal FLAG-tagged PRMT5 (unknown origin)/MEP50 (unknown origin) expressed in baculovirus infected Sf21 insect cells us...


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50523653
PNG
(CHEMBL4582424)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H17F2N3O4/c1-8-10-4-5-23(17(10)22-7-21-8)18-15(26)14(25)16(27-18)13(24)9-2-3-11(19)12(20)6-9/h2-7,13-16,18,24-26H,1H3/t13-,14+,15-,16-,18-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal FLAG-tagged PRMT5 (unknown origin)/MEP50 (unknown origin) expressed in baculovirus infected Sf21 insect cells us...


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM435705
PNG
((2R,3S,4R,5R)-5-(4-amino-7H- pyrrolo[2,3-d]pyrimid...)
Show SMILES C[C@]1(O)[C@@H](O)[C@@H](O[C@@H]1[C@H](O)c1ccc(F)c(c1)C(F)(F)F)n1ccc2c(N)ncnc12
Show InChI InChI=1S/C19H18F4N4O4/c1-18(30)13(29)17(27-5-4-9-15(24)25-7-26-16(9)27)31-14(18)12(28)8-2-3-11(20)10(6-8)19(21,22)23/h2-7,12-14,17,28-30H,1H3,(H2,24,25,26)/t12-,13+,14-,17-,18+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Prelude Therapeutics Incorporated

US Patent


Assay Description
Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5,...


US Patent US10570140 (2020)


BindingDB Entry DOI: 10.7270/Q2WM1GTT
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM415556
PNG
(US10428104, Example 87)
Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H17ClN4O4/c18-9-3-1-8(2-4-9)11(23)14-12(24)13(25)17(26-14)22-6-5-10-15(19)20-7-21-16(10)22/h1-7,11-14,17,23-25H,(H2,19,20,21)/t11-,12+,13-,14-,17-/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (1 to 637 residue) /full length human N-terminal His tagged MEP50 expressed in baculovir...


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM435560
PNG
((2R,3S,4R,5R)-5-(4-amino-7H- pyrrolo[2,3-d]pyrimid...)
Show SMILES C[C@]1(O)[C@@H](O)[C@@H](O[C@@H]1[C@H](O)c1ccc(Cl)cc1)n1ccc2c(N)ncnc12
Show InChI InChI=1S/C18H19ClN4O4/c1-18(26)13(25)17(23-7-6-11-15(20)21-8-22-16(11)23)27-14(18)12(24)9-2-4-10(19)5-3-9/h2-8,12-14,17,24-26H,1H3,(H2,20,21,22)/t12-,13+,14-,17-,18+/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Prelude Therapeutics Incorporated

US Patent


Assay Description
Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5,...


US Patent US10570140 (2020)


BindingDB Entry DOI: 10.7270/Q2WM1GTT
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50523644
PNG
(CHEMBL4541070)
Show SMILES Nc1ccc(CC[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2ccc3c(N)ncnc23)cn1
Show InChI InChI=1S/C18H22N6O2/c19-14-4-2-10(8-21-14)1-3-11-7-13(16(26)15(11)25)24-6-5-12-17(20)22-9-23-18(12)24/h2,4-6,8-9,11,13,15-16,25-26H,1,3,7H2,(H2,19,21)(H2,20,22,23)/t11-,13+,15+,16-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full-length human N-terminal FLAG-tagged PRMT5/full length N-terminal His6-tagged MEP50 (unknown origin) expressed in baculovirus infec...


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM435655
PNG
((2R,3S,4R,5R)-5-(4-amino-7H- pyrrolo[2,3-d]pyrimid...)
Show SMILES C[C@@]1(O)[C@@H](COc2ccc3cccnc3c2)O[C@H]([C@@H]1O)n1ccc2c(N)ncnc12
Show InChI InChI=1S/C21H21N5O4/c1-21(28)16(10-29-13-5-4-12-3-2-7-23-15(12)9-13)30-20(17(21)27)26-8-6-14-18(22)24-11-25-19(14)26/h2-9,11,16-17,20,27-28H,10H2,1H3,(H2,22,24,25)/t16-,17+,20-,21-/m1/s1
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n/an/a 5.80n/an/an/an/an/an/a



Prelude Therapeutics Incorporated

US Patent


Assay Description
Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5,...


US Patent US10570140 (2020)


BindingDB Entry DOI: 10.7270/Q2WM1GTT
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM178166
PNG
(US10307413, Compound 208 | US10391089, Compound 20...)
Show SMILES CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H32N6O3/c1-17(31)30-10-7-20(8-11-30)28-23-12-22(26-16-27-23)24(33)25-13-21(32)15-29-9-6-18-4-2-3-5-19(18)14-29/h2-5,12,16,20-21,32H,6-11,13-15H2,1H3,(H,25,33)(H,26,27,28)/t21-/m0/s1
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n/an/a 6.20n/an/an/an/an/an/a



University of Jinan

Curated by ChEMBL


Assay Description
Inhibition of PRMT5 (unknown origin)/MEP50 (unknown origin) using histone H4 as substrate preincubated for 60 mins in presence of enzyme and SAM


Bioorg Med Chem Lett 28: 3693-3699 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.026
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50523630
PNG
(CHEMBL4439077)
Show SMILES Nc1ncnc2n(ccc12)[C@@H]1C[C@H](CCc2ccc3cccnc3c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H23N5O2/c23-21-16-7-9-27(22(16)26-12-25-21)18-11-15(19(28)20(18)29)6-4-13-3-5-14-2-1-8-24-17(14)10-13/h1-3,5,7-10,12,15,18-20,28-29H,4,6,11H2,(H2,23,25,26)/t15-,18+,19+,20-/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full-length human N-terminal FLAG-tagged PRMT5/full length N-terminal His6-tagged MEP50 (unknown origin) expressed in baculovirus infec...


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM435704
PNG
((2R,3S,4R,5R)-2-((R)-hydroxy(4- (trifluoromethyl)p...)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(cc2)C(F)(F)F)[C@@](C)(O)[C@H]1O
Show InChI InChI=1S/C20H20F3N3O4/c1-10-13-7-8-26(17(13)25-9-24-10)18-15(28)19(2,29)16(30-18)14(27)11-3-5-12(6-4-11)20(21,22)23/h3-9,14-16,18,27-29H,1-2H3/t14-,15+,16-,18-,19+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Prelude Therapeutics Incorporated

US Patent


Assay Description
Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5,...


US Patent US10570140 (2020)


BindingDB Entry DOI: 10.7270/Q2WM1GTT
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50523634
PNG
(CHEMBL4540972)
Show SMILES Nc1ncnc2n(ccc12)[C@@H]1C[C@H](\C=C\c2ccc3cccnc3c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H21N5O2/c23-21-16-7-9-27(22(16)26-12-25-21)18-11-15(19(28)20(18)29)6-4-13-3-5-14-2-1-8-24-17(14)10-13/h1-10,12,15,18-20,28-29H,11H2,(H2,23,25,26)/b6-4+/t15-,18+,19+,20-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full-length human N-terminal FLAG-tagged PRMT5/full length N-terminal His6-tagged MEP50 (unknown origin) expressed in baculovirus infec...


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50529897
PNG
(CHEMBL4468383)
Show SMILES O[C@@H](CNC(=O)c1ccc2CN(CCc2c1)C(=O)c1ccc(Br)cc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C29H30BrN3O3/c30-26-9-7-21(8-10-26)29(36)33-14-12-22-15-23(5-6-25(22)18-33)28(35)31-16-27(34)19-32-13-11-20-3-1-2-4-24(20)17-32/h1-10,15,27,34H,11-14,16-19H2,(H,31,35)/t27-/m0/s1
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n/an/a 8.5n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...


Eur J Med Chem 164: 317-333 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.065
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50529897
PNG
(CHEMBL4468383)
Show SMILES O[C@@H](CNC(=O)c1ccc2CN(CCc2c1)C(=O)c1ccc(Br)cc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C29H30BrN3O3/c30-26-9-7-21(8-10-26)29(36)33-14-12-22-15-23(5-6-25(22)18-33)28(35)31-16-27(34)19-32-13-11-20-3-1-2-4-24(20)17-32/h1-10,15,27,34H,11-14,16-19H2,(H,31,35)/t27-/m0/s1
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n/an/a 8.5n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...


Eur J Med Chem 164: 317-333 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.065
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM435520
PNG
((2R,3S,4R,5R)-5-(4-amino-7H- pyrrolo[2,3-d]pyrimid...)
Show SMILES Nc1ccc2ccc(OC[C@H]3O[C@H]([C@H](O)[C@@]3(O)C=C)n3ccc4c(N)ncnc34)cc2n1
Show InChI InChI=1S/C22H22N6O4/c1-2-22(30)16(10-31-13-5-3-12-4-6-17(23)27-15(12)9-13)32-21(18(22)29)28-8-7-14-19(24)25-11-26-20(14)28/h2-9,11,16,18,21,29-30H,1,10H2,(H2,23,27)(H2,24,25,26)/t16-,18+,21-,22-/m1/s1
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US Patent
n/an/a 8.70n/an/an/an/an/an/a



Prelude Therapeutics Incorporated

US Patent


Assay Description
Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5,...


US Patent US10570140 (2020)


BindingDB Entry DOI: 10.7270/Q2WM1GTT
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50523659
PNG
(CHEMBL4557058)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](N)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H18F2N4O3/c1-8-10-4-5-24(17(10)23-7-22-8)18-15(26)14(25)16(27-18)13(21)9-2-3-11(19)12(20)6-9/h2-7,13-16,18,25-26H,21H2,1H3/t13-,14+,15-,16-,18-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal FLAG-tagged PRMT5 (unknown origin)/MEP50 (unknown origin) expressed in baculovirus infected Sf21 insect cells us...


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50366992
PNG
(CHEMBL4168754)
Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccccc2)[C@@H](O)[C@H]1O
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 9.5n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (1 to 637 residue) /full length human N-terminal His tagged MEP50 expressed in baculovir...


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM435571
PNG
(7-((2R,3R,4S,5R)-5-(((2-aminoquinolin-7- yl)oxy)me...)
Show SMILES CO\N=C1/NC=NC2C1C=CN2[C@@H]1O[C@H](COc2ccc3ccc(N)nc3c2)[C@@](C)(O)[C@H]1O
Show InChI InChI=1S/C22H26N6O5/c1-22(30)16(10-32-13-5-3-12-4-6-17(23)26-15(12)9-13)33-21(18(22)29)28-8-7-14-19(27-31-2)24-11-25-20(14)28/h3-9,11,14,16,18,20-21,29-30H,10H2,1-2H3,(H2,23,26)(H,24,25,27)/t14?,16-,18+,20?,21-,22-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Prelude Therapeutics Incorporated

US Patent


Assay Description
Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5,...


US Patent US10570140 (2020)


BindingDB Entry DOI: 10.7270/Q2WM1GTT
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50502498
PNG
(CHEMBL4518534)
Show SMILES O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2C3=NCC(O)N3C=Nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN4O5/c20-10-3-1-9(2-4-10)13(26)16-14(27)15(28)19(29-16)23-6-5-11-17-21-7-12(25)24(17)8-22-18(11)23/h1-6,8,12-16,19,25-28H,7H2/t12?,13-,14+,15-,16-,19-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRMT5/MEP50 expressed in baculovirus infected High-five cells using histone 4 peptide as substrate in presence of [3H...


ACS Med Chem Lett 10: 1033-1038 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00074
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50529901
PNG
(CHEMBL4568997)
Show SMILES OC(CNC(=O)c1ccc2CN(CCc2c1)C(=O)c1ccc(Br)cc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C29H30BrN3O3/c30-26-9-7-21(8-10-26)29(36)33-14-12-22-15-23(5-6-25(22)18-33)28(35)31-16-27(34)19-32-13-11-20-3-1-2-4-24(20)17-32/h1-10,15,27,34H,11-14,16-19H2,(H,31,35)
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n/an/a 11n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...


Eur J Med Chem 164: 317-333 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.065
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM435659
PNG
((2R,3S,4R,5R)-2-((R)-(4-chloro-3- methylphenyl)(hy...)
Show SMILES Cc1cc(ccc1Cl)[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@]1(C)O)n1ccc2c(C)ncnc12
Show InChI InChI=1S/C20H22ClN3O4/c1-10-8-12(4-5-14(10)21)15(25)17-20(3,27)16(26)19(28-17)24-7-6-13-11(2)22-9-23-18(13)24/h4-9,15-17,19,25-27H,1-3H3/t15-,16+,17-,19-,20+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Prelude Therapeutics Incorporated

US Patent


Assay Description
Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5,...


US Patent US10570140 (2020)


BindingDB Entry DOI: 10.7270/Q2WM1GTT
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM435700
PNG
((2R,3S,4R,5R)-2-((R)-(3,4- dichlorophenyl)(hydroxy...)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)c(Cl)c2)[C@@](C)(O)[C@H]1O
Show InChI InChI=1S/C19H19Cl2N3O4/c1-9-11-5-6-24(17(11)23-8-22-9)18-15(26)19(2,27)16(28-18)14(25)10-3-4-12(20)13(21)7-10/h3-8,14-16,18,25-27H,1-2H3/t14-,15+,16-,18-,19+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Prelude Therapeutics Incorporated

US Patent


Assay Description
Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5,...


US Patent US10570140 (2020)


BindingDB Entry DOI: 10.7270/Q2WM1GTT
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50529901
PNG
(CHEMBL4568997)
Show SMILES OC(CNC(=O)c1ccc2CN(CCc2c1)C(=O)c1ccc(Br)cc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C29H30BrN3O3/c30-26-9-7-21(8-10-26)29(36)33-14-12-22-15-23(5-6-25(22)18-33)28(35)31-16-27(34)19-32-13-11-20-3-1-2-4-24(20)17-32/h1-10,15,27,34H,11-14,16-19H2,(H,31,35)
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n/an/a 11n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...


Eur J Med Chem 164: 317-333 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.065
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50529900
PNG
(CHEMBL4473655)
Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCc2cc(ccc2C1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C31H36N4O3/c1-33(2)28-11-9-23(10-12-28)31(38)35-16-14-24-17-25(7-8-27(24)20-35)30(37)32-18-29(36)21-34-15-13-22-5-3-4-6-26(22)19-34/h3-12,17,29,36H,13-16,18-21H2,1-2H3,(H,32,37)/t29-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...


Eur J Med Chem 164: 317-333 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.065
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50529900
PNG
(CHEMBL4473655)
Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCc2cc(ccc2C1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C31H36N4O3/c1-33(2)28-11-9-23(10-12-28)31(38)35-16-14-24-17-25(7-8-27(24)20-35)30(37)32-18-29(36)21-34-15-13-22-5-3-4-6-26(22)19-34/h3-12,17,29,36H,13-16,18-21H2,1-2H3,(H,32,37)/t29-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...


Eur J Med Chem 164: 317-333 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.065
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50529896
PNG
(CHEMBL4444027)
Show SMILES COc1ccc(cc1)C(=O)N1CCc2cc(ccc2C1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C30H33N3O4/c1-37-28-10-8-22(9-11-28)30(36)33-15-13-23-16-24(6-7-26(23)19-33)29(35)31-17-27(34)20-32-14-12-21-4-2-3-5-25(21)18-32/h2-11,16,27,34H,12-15,17-20H2,1H3,(H,31,35)/t27-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...


Eur J Med Chem 164: 317-333 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.065
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50529896
PNG
(CHEMBL4444027)
Show SMILES COc1ccc(cc1)C(=O)N1CCc2cc(ccc2C1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C30H33N3O4/c1-37-28-10-8-22(9-11-28)30(36)33-15-13-23-16-24(6-7-26(23)19-33)29(35)31-17-27(34)20-32-14-12-21-4-2-3-5-25(21)18-32/h2-11,16,27,34H,12-15,17-20H2,1H3,(H,31,35)/t27-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...


Eur J Med Chem 164: 317-333 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.065
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50523635
PNG
(CHEMBL4556400)
Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@H](COc2ccc3cccnc3c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H19N5O4/c21-18-13-5-7-25(19(13)24-10-23-18)20-17(27)16(26)15(29-20)9-28-12-4-3-11-2-1-6-22-14(11)8-12/h1-8,10,15-17,20,26-27H,9H2,(H2,21,23,24)/t15-,16-,17-,20-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full-length human N-terminal FLAG-tagged PRMT5/full length N-terminal His6-tagged MEP50 (unknown origin) expressed in baculovirus infec...


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
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