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Compile Data Set for Download or QSAR

Found 828 hits of ic50 data for polymerid = 9391   
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
Protein arginine N-methyltransferase 5


(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
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415582
PNG
(US10428104, Example 112)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2cccc3CCNCc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H24N4O4/c1-11-13-6-8-25(20(13)24-10-23-11)21-18(28)17(27)19(29-21)16(26)14-4-2-3-12-5-7-22-9-15(12)14/h2-4,6,8,10,16-19,21-22,26-28H,5,7,9H2,1H3/t16-,17+,18-,19-,21-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415557
PNG
(US10428104, Example 88)
Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)c(F)c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H16ClFN4O4/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
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(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
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415575
PNG
((2R,3R,4S,5S)-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES C[C@](O)([C@H]1O[C@H](C2OC(C)(C)O[C@H]12)n1ccc2c(Cl)ncnc12)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C21H20Cl2FN3O4/c1-20(2)30-14-15(31-20)19(27-7-6-11-17(23)25-9-26-18(11)27)29-16(14)21(3,28)10-4-5-12(22)13(24)8-10/h4-9,14-16,19,28H,1-3H3/t14-,15?,16-,19+,21+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415584
PNG
((2R,3S,4R,5R)-2-((R)-(4-chloro-3-fluorophenyl)(hyd...)
Show SMILES O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2cncnc12)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C17H15ClFN3O4/c18-10-2-1-8(5-11(10)19)12(23)15-13(24)14(25)17(26-15)22-4-3-9-6-20-7-21-16(9)22/h1-7,12-15,17,23-25H/t12-,13+,14-,15-,17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415573
PNG
((2R,3R,4S,5S)-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES C[C@](O)([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C18H18F2N4O4/c1-18(27,8-2-3-10(19)11(20)6-8)14-12(25)13(26)17(28-14)24-5-4-9-15(21)22-7-23-16(9)24/h2-7,12-14,17,25-27H,1H3,(H2,21,22,23)/t12-,13+,14-,17+,18+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415555
PNG
(US10428104, Example 86)
Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H17FN4O4/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
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(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
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415464
PNG
(US10428104, Example 11)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(Cl)c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H17ClFN3O4/c1-8-10-4-5-23(17(10)22-7-21-8)18-15(26)14(25)16(27-18)13(24)9-2-3-12(20)11(19)6-9/h2-7,13-16,18,24-26H,1H3/t13-,14+,15-,16-,18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415553
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-((R)-(3,...)
Show SMILES CC1(C)O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n1cnc2c(Cl)ncnc12)[C@H](O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C19H17ClF2N4O4/c1-19(2)29-14-13(12(27)8-3-4-9(21)10(22)5-8)28-18(15(14)30-19)26-7-25-11-16(20)23-6-24-17(11)26/h3-7,12-15,18,27H,1-2H3/t12-,13-,14-,15-,18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415462
PNG
((Scheme C) (2R,3S,4R,5R)-2-((R)-(3,4-difluoropheny...)
Show SMILES O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(Cl)ncnc12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H14ClF2N3O4/c18-15-8-3-4-23(16(8)22-6-21-15)17-13(26)12(25)14(27-17)11(24)7-1-2-9(19)10(20)5-7/h1-6,11-14,17,24-26H/t11-,12+,13-,14-,17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415530
PNG
(US10428104, Example 61)
Show SMILES Nc1ncnc2n(cc(F)c12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H16F2N4O4/c18-8-3-1-7(2-4-8)11(24)14-12(25)13(26)17(27-14)23-5-9(19)10-15(20)21-6-22-16(10)23/h1-6,11-14,17,24-26H,(H2,20,21,22)/t11-,12+,13-,14-,17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415472
PNG
(US10428104, Example 18)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(c2)C(F)(F)F)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H17F4N3O4/c1-8-10-4-5-26(17(10)25-7-24-8)18-15(29)14(28)16(30-18)13(27)9-2-3-12(20)11(6-9)19(21,22)23/h2-7,13-16,18,27-29H,1H3/t13-,14+,15-,16-,18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415466
PNG
(US10428104, Example 13)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(c2)C#N)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H17FN4O4/c1-9-12-4-5-24(18(12)23-8-22-9)19-16(27)15(26)17(28-19)14(25)10-2-3-13(20)11(6-10)7-21/h2-6,8,14-17,19,25-27H,1H3/t14-,15+,16-,17-,19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415585
PNG
((2R,3S,4R,5R)-2-((R)-amino(4-chloro-3-fluorophenyl...)
Show SMILES N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2cncnc12)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C17H16ClFN4O3/c18-10-2-1-8(5-11(10)19)12(20)15-13(24)14(25)17(26-15)23-4-3-9-6-21-7-22-16(9)23/h1-7,12-15,17,24-25H,20H2/t12-,13+,14-,15-,17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415586
PNG
(US10428104, Example 117)
Show SMILES O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2cncnc12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H15F2N3O4/c18-10-2-1-8(5-11(10)19)12(23)15-13(24)14(25)17(26-15)22-4-3-9-6-20-7-21-16(9)22/h1-7,12-15,17,23-25H/t12-,13+,14-,15-,17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415497
PNG
(US10428104, Example 38)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H18FN3O4/c1-9-12-6-7-22(17(12)21-8-20-9)18-15(25)14(24)16(26-18)13(23)10-2-4-11(19)5-3-10/h2-8,13-16,18,23-25H,1H3/t13-,14+,15-,16-,18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415488
PNG
(US10428104, Example 32)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2cccc(Cl)c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H18ClN3O4/c1-9-12-5-6-22(17(12)21-8-20-9)18-15(25)14(24)16(26-18)13(23)10-3-2-4-11(19)7-10/h2-8,13-16,18,23-25H,1H3/t13-,14+,15-,16-,18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415533
PNG
(US10428104, Example 64)
Show SMILES Cc1nc(N)nc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H19FN4O4/c1-8-11-6-7-23(16(11)22-18(20)21-8)17-14(26)13(25)15(27-17)12(24)9-2-4-10(19)5-3-9/h2-7,12-15,17,24-26H,1H3,(H2,20,21,22)/t12-,13+,14-,15-,17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415492
PNG
(US10428104, Example 36)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2cc(F)cc(F)c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H17F2N3O4/c1-8-12-2-3-23(17(12)22-7-21-8)18-15(26)14(25)16(27-18)13(24)9-4-10(19)6-11(20)5-9/h2-7,13-16,18,24-26H,1H3/t13-,14+,15-,16-,18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415490
PNG
(US10428104, Example 34)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2cccc(F)c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H18FN3O4/c1-9-12-5-6-22(17(12)21-8-20-9)18-15(25)14(24)16(26-18)13(23)10-3-2-4-11(19)7-10/h2-8,13-16,18,23-25H,1H3/t13-,14+,15-,16-,18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(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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PubMed
n/an/a 6.30n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal FLAG-tagged PRMT5 (2 to end) expressed in HEK293 cells using biotinylated H2A as substrate measured after 60 mins in p...


J Med Chem 61: 9429-9441 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415588
PNG
((2R,3R,4S,5R)-2-(4-amino-5-iodo-7H-pyrrolo[2,3-d]p...)
Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H15F2IN4O4/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 7n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415463
PNG
(US10428104, Example 10)
Show SMILES Cc1cc(ccc1F)[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
Show InChI InChI=1S/C19H20FN3O4/c1-9-7-11(3-4-13(9)20)14(24)17-15(25)16(26)19(27-17)23-6-5-12-10(2)21-8-22-18(12)23/h3-8,14-17,19,24-26H,1-2H3/t14-,15+,16-,17-,19-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415577
PNG
((2R,3S,4R,5R)-2-((R)-(3,4-difluorophenyl)(hydroxy)...)
Show SMILES O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(CF)ncnc12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C18H16F3N3O4/c19-6-12-9-3-4-24(17(9)23-7-22-12)18-15(27)14(26)16(28-18)13(25)8-1-2-10(20)11(21)5-8/h1-5,7,13-16,18,25-27H,6H2/t13-,14+,15-,16-,18-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415563
PNG
((2R,3S,4R,5R)-2-((R)-amino(3,4-difluorophenyl)meth...)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](N2C(=O)c3ccccc3C2=O)c2ccc(F)c(F)c2)[C@H]2OC(C)(C)O[C@@H]12
Show InChI InChI=1S/C29H24F2N4O5/c1-14-16-10-11-34(25(16)33-13-32-14)28-24-23(39-29(2,3)40-24)22(38-28)21(15-8-9-19(30)20(31)12-15)35-26(36)17-6-4-5-7-18(17)27(35)37/h4-13,21-24,28H,1-3H3/t21-,22-,23-,24-,28-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415481
PNG
((Scheme J) (2R,3S,4R,5R)-2-((R)-hydroxy(1-methyl-1...)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3ccn(C)c3c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H22N4O4/c1-11-14-6-8-25(20(14)23-10-22-11)21-18(28)17(27)19(29-21)16(26)13-4-3-12-5-7-24(2)15(12)9-13/h3-10,16-19,21,26-28H,1-2H3/t16-,17+,18-,19-,21-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415524
PNG
(US10428104, Example 56)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)C(F)(F)F)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C13H14F3N3O4/c1-5-6-2-3-19(11(6)18-4-17-5)12-8(21)7(20)9(23-12)10(22)13(14,15)16/h2-4,7-10,12,20-22H,1H3/t7-,8+,9-,10-,12+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415465
PNG
(US10428104, Example 12)
Show SMILES COc1cc(ccc1F)[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
Show InChI InChI=1S/C19H20FN3O5/c1-9-11-5-6-23(18(11)22-8-21-9)19-16(26)15(25)17(28-19)14(24)10-3-4-12(20)13(7-10)27-2/h3-8,14-17,19,24-26H,1-2H3/t14-,15+,16-,17-,19-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415581
PNG
(US10428104, Example 111)
Show SMILES Cc1cc(ccn1)[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
Show InChI InChI=1S/C18H20N4O4/c1-9-7-11(3-5-19-9)13(23)16-14(24)15(25)18(26-16)22-6-4-12-10(2)20-8-21-17(12)22/h3-8,13-16,18,23-25H,1-2H3/t13-,14+,15-,16-,18-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415552
PNG
((2R,3R,4S,5R)-2-(4-amino-5-fluoro-7H-pyrrolo[2,3-d...)
Show SMILES Nc1ncnc2n(cc(F)c12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)cn2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H15F2N5O4/c17-6-1-2-8(20-3-6)10(24)13-11(25)12(26)16(27-13)23-4-7(18)9-14(19)21-5-22-15(9)23/h1-5,10-13,16,24-26H,(H2,19,21,22)/t10-,11+,12-,13-,16-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415561
PNG
(US10428104, Example 92)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](F)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H16F3N3O3/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,1H3/t13-,14+,15-,16-,18-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM413866
PNG
(4-(3-Oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)-2-e...)
Show SMILES CCOc1cc(ccc1C(=O)NC[C@@H](C)[C@@H]1Cc2ccc(OC)cc2CN1)C(=O)N1C2CCC1COC2
Show InChI InChI=1S/C29H37N3O5/c1-4-37-27-13-20(29(34)32-22-7-8-23(32)17-36-16-22)6-10-25(27)28(33)31-14-18(2)26-12-19-5-9-24(35-3)11-21(19)15-30-26/h5-6,9-11,13,18,22-23,26,30H,4,7-8,12,14-17H2,1-3H3,(H,31,33)/t18-,22?,23?,26+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



CTXT PTY LTD

US Patent


Assay Description
The 6 μL reactions are run in Greiner brand black 384-well low volume assay plates. All reactions contained assay buffer (phosphate buffered sal...


US Patent US10421743 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM401715
PNG
(US10005792, Compound 135 | US10005792, Compound 77)
Show SMILES CCOc1cc(ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1)C(=O)N1C2CCC1COC2
Show InChI InChI=1S/C28H35N3O5/c1-2-36-26-13-20(28(34)31-22-8-9-23(31)17-35-16-22)7-10-25(26)27(33)30-15-24(32)14-29-21-11-18-5-3-4-6-19(18)12-21/h3-7,10,13,21-24,29,32H,2,8-9,11-12,14-17H2,1H3,(H,30,33)/t22?,23?,24-/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/an/an/a



CTXT PTY. LTD.

US Patent


Assay Description
Compounds of the invention may be tested for in vitro activity in the following assay: A histone H4 derived peptide is used as substrate (amino acid ...


US Patent US10005792 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM421947
PNG
(US10494376, Example 55)
Show SMILES CCOc1cc(ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)C(=O)N1C2CCCC1COC2
Show InChI InChI=1S/C28H35N3O5/c1-2-36-26-13-19(28(34)31-21-8-5-9-22(31)17-35-16-21)10-11-23(26)27(33)30-15-25(32)24-12-18-6-3-4-7-20(18)14-29-24/h3-4,6-7,10-11,13,21-22,24-25,29,32H,2,5,8-9,12,14-17H2,1H3,(H,30,33)/t21?,22?,24-,25+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



CTXT PTY. LTD.

US Patent


Assay Description
Compounds of the invention may be tested for in vitro activity in the following assay: A histone H4 derived peptide is used as substrate (amino acid ...


US Patent US10494376 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415467
PNG
(US10428104, Example 14)
Show SMILES CN(C)c1cc(ccn1)[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
Show InChI InChI=1S/C19H23N5O4/c1-10-12-5-7-24(18(12)22-9-21-10)19-16(27)15(26)17(28-19)14(25)11-4-6-20-13(8-11)23(2)3/h4-9,14-17,19,25-27H,1-3H3/t14-,15+,16-,17-,19-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM422000
PNG
(US10494376, Example 108)
Show SMILES CCOc1cc(ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccc(C)cc2CN1)C(=O)N1C2CCC1COC2
Show InChI InChI=1S/C28H35N3O5/c1-3-36-26-12-19(28(34)31-21-7-8-22(31)16-35-15-21)6-9-23(26)27(33)30-14-25(32)24-11-18-5-4-17(2)10-20(18)13-29-24/h4-6,9-10,12,21-22,24-25,29,32H,3,7-8,11,13-16H2,1-2H3,(H,30,33)/t21?,22?,24-,25+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



CTXT PTY. LTD.

US Patent


Assay Description
Compounds of the invention may be tested for in vitro activity in the following assay: A histone H4 derived peptide is used as substrate (amino acid ...


US Patent US10494376 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM413867
PNG
(4-(3-Oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)-Nó(...)
Show SMILES COc1ccc2C[C@H](NCc2c1)[C@H](C)CNC(=O)c1ccc(cc1)C(=O)N1C2CCC1COC2
Show InChI InChI=1S/C27H33N3O4/c1-17(25-12-20-7-10-24(33-2)11-21(20)14-28-25)13-29-26(31)18-3-5-19(6-4-18)27(32)30-22-8-9-23(30)16-34-15-22/h3-7,10-11,17,22-23,25,28H,8-9,12-16H2,1-2H3,(H,29,31)/t17-,22?,23?,25+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



CTXT PTY LTD

US Patent


Assay Description
The 6 μL reactions are run in Greiner brand black 384-well low volume assay plates. All reactions contained assay buffer (phosphate buffered sal...


US Patent US10421743 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415568
PNG
((2R,3R,4S,5R)-2-(5-fluoro-4-methyl-7H-pyrrolo[2,3-...)
Show SMILES Cc1ncnc2n(cc(F)c12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H17F2N3O4/c1-8-12-11(20)6-23(17(12)22-7-21-8)18-15(26)14(25)16(27-18)13(24)9-2-4-10(19)5-3-9/h2-7,13-16,18,24-26H,1H3/t13-,14+,15-,16-,18-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415482
PNG
(US10428104, Example 26)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccccc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H19N3O4/c1-10-12-7-8-21(17(12)20-9-19-10)18-15(24)14(23)16(25-18)13(22)11-5-3-2-4-6-11/h2-9,13-16,18,22-24H,1H3/t13-,14+,15-,16-,18-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM421943
PNG
(US10494376, Example 50)
Show SMILES CCOc1cc(ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)C(=O)N1C2CCC1COC2
Show InChI InChI=1S/C27H33N3O5/c1-2-35-25-12-18(27(33)30-20-8-9-21(30)16-34-15-20)7-10-22(25)26(32)29-14-24(31)23-11-17-5-3-4-6-19(17)13-28-23/h3-7,10,12,20-21,23-24,28,31H,2,8-9,11,13-16H2,1H3,(H,29,32)/t20?,21?,23-,24+/m0/s1
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n/an/a 19n/an/an/an/an/an/a



CTXT PTY. LTD.

US Patent


Assay Description
Compounds of the invention may be tested for in vitro activity in the following assay: A histone H4 derived peptide is used as substrate (amino acid ...


US Patent US10494376 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415569
PNG
((2R,3R,4S,5R)-2-(2,4-dimethyl-7H-pyrrolo[2,3-d]pyr...)
Show SMILES Cc1nc(C)c2ccn([C@@H]3O[C@H]([C@H](O)c4ccc(F)cc4)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C19H20FN3O4/c1-9-13-7-8-23(18(13)22-10(2)21-9)19-16(26)15(25)17(27-19)14(24)11-3-5-12(20)6-4-11/h3-8,14-17,19,24-26H,1-2H3/t14-,15+,16-,17-,19-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM177922
PNG
(US10307413, Compound 337 | US10391089, Compound 16...)
Show SMILES O[C@@H](CNC(=O)c1cc(NC2COC2)ncn1)CN1CCc2ccccc2C1
Show InChI InChI=1/C20H25N5O3/c26-17(10-25-6-5-14-3-1-2-4-15(14)9-25)8-21-20(27)18-7-19(23-13-22-18)24-16-11-28-12-16/h1-4,7,13,16-17,26H,5-6,8-12H2,(H,21,27)(H,22,23,24)/t17-/s2
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n/an/a 22n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PRMT5 (unknown origin) using H4R3 as substrate by HTRF assay


J Med Chem 61: 9429-9441 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415470
PNG
(US10428104, Example 16)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2cccc(c2)C(F)(F)F)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H18F3N3O4/c1-9-12-5-6-25(17(12)24-8-23-9)18-15(28)14(27)16(29-18)13(26)10-3-2-4-11(7-10)19(20,21)22/h2-8,13-16,18,26-28H,1H3/t13-,14+,15-,16-,18-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415522
PNG
(US10428104, Example 54)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccco2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H17N3O5/c1-8-9-4-5-19(15(9)18-7-17-8)16-13(22)12(21)14(24-16)11(20)10-3-2-6-23-10/h2-7,11-14,16,20-22H,1H3/t11-,12+,13-,14-,16-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415580
PNG
(US10428104, Example 110)
Show SMILES Cc1ccc(cn1)[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
Show InChI InChI=1S/C18H20N4O4/c1-9-3-4-11(7-19-9)13(23)16-14(24)15(25)18(26-16)22-6-5-12-10(2)20-8-21-17(12)22/h3-8,13-16,18,23-25H,1-2H3/t13-,14+,15-,16-,18-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10428104 (2019)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(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 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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50462568
PNG
(CHEMBL4248047)
Show SMILES CC(=O)N1CCC(CC1)Oc1nccc(C(=O)NC[C@@H](O)[C@@H]2Cc3ccccc3CN2)c1Cl
Show InChI InChI=1S/C24H29ClN4O4/c1-15(30)29-10-7-18(8-11-29)33-24-22(25)19(6-9-26-24)23(32)28-14-21(31)20-12-16-4-2-3-5-17(16)13-27-20/h2-6,9,18,20-21,27,31H,7-8,10-14H2,1H3,(H,28,32)/t20-,21+/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of human PRMT5 expressed in insect cells co-expressing His-tagged MEP50 using Ser-Gly-Arg-Gly- Lys-Gly-Gly-Lys-Gly-Leu-Gly-Lys-Gly-Gly-Ala...


J Med Chem 61: 9429-9441 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM401715
PNG
(US10005792, Compound 135 | US10005792, Compound 77)
Show SMILES CCOc1cc(ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1)C(=O)N1C2CCC1COC2
Show InChI InChI=1S/C28H35N3O5/c1-2-36-26-13-20(28(34)31-22-8-9-23(31)17-35-16-22)7-10-25(26)27(33)30-15-24(32)14-29-21-11-18-5-3-4-6-19(18)12-21/h3-7,10,13,21-24,29,32H,2,8-9,11-12,14-17H2,1H3,(H,30,33)/t22?,23?,24-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



CTXT PTY. LTD.

US Patent


Assay Description
Compounds of the invention may be tested for in vitro activity in the following assay: A histone H4 derived peptide is used as substrate (amino acid ...


US Patent US10005792 (2018)

More data for this
Ligand-Target Pair
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