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Patent code US10428104

Compile Data Set for Download or QSAR
Found 118 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
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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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
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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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415566
PNG
((2R,3R,4S,5R)-2-(4-(difluoromethyl)-7H-pyrrolo[2,3...)
Show SMILES O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(ncnc12)C(F)F)c1ccc(F)c(F)c1
Show InChI InChI=1S/C18H15F4N3O4/c19-9-2-1-7(5-10(9)20)12(26)15-13(27)14(28)18(29-15)25-4-3-8-11(16(21)22)23-6-24-17(8)25/h1-6,12-16,18,26-28H/t12-,13+,14-,15-,18-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415571
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](Cc2ccc(F)cc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H16F2N4O3/c18-9-3-1-8(2-4-9)5-11-13(24)14(25)17(26-11)23-6-10(19)12-15(20)21-7-22-16(12)23/h1-4,6-7,11,13-14,17,24-25H,5H2,(H2,20,21,22)/t11-,13-,14-,17-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415549
PNG
((Scheme HH) (2S,3R,4S,5R)-2-(4-aminofuro[3,2-d]pyr...)
Show SMILES Nc1ncnc2c(coc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H16FN3O5/c18-8-3-1-7(2-4-8)11(22)16-13(24)12(23)14(26-16)9-5-25-15-10(9)20-6-21-17(15)19/h1-6,11-14,16,22-24H,(H2,19,20,21)/t11-,12-,13+,14+,16-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415477
PNG
(US10428104, Example 21)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3occ(C(F)F)c3c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H19F2N3O5/c1-9-11-4-5-26(20(11)25-8-24-9)21-17(29)16(28)18(31-21)15(27)10-2-3-14-12(6-10)13(7-30-14)19(22)23/h2-8,15-19,21,27-29H,1H3/t15-,16+,17-,18-,21-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415587
PNG
(US10428104, Example 118)
Show SMILES N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2cncnc12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H16F2N4O3/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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415532
PNG
(US10428104, Example 63)
Show SMILES CCC[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)nc(N)nc12
Show InChI InChI=1S/C15H22N4O4/c1-3-4-9(20)12-10(21)11(22)14(23-12)19-6-5-8-7(2)17-15(16)18-13(8)19/h5-6,9-12,14,20-22H,3-4H2,1-2H3,(H2,16,17,18)/t9-,10+,11-,12-,14-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415468
PNG
(US10428104, Example 15)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3cnn(C)c3c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21N5O4/c1-10-13-5-6-25(19(13)22-9-21-10)20-17(28)16(27)18(29-20)15(26)11-3-4-12-8-23-24(2)14(12)7-11/h3-9,15-18,20,26-28H,1-2H3/t15-,16+,17-,18-,20-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415517
PNG
(US10428104, Example 50)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2cnn(C)c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H19N5O4/c1-8-10-3-4-21(15(10)18-7-17-8)16-13(24)12(23)14(25-16)11(22)9-5-19-20(2)6-9/h3-7,11-14,16,22-24H,1-2H3/t11-,12+,13-,14-,16-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415539
PNG
((Scheme Z) (2S,3S,4R,5R)-2-((R)-1-hydroxyethyl)-5-...)
Show SMILES C[C@@H](O)[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
Show InChI InChI=1S/C13H17N3O4/c1-6-8-3-4-16(12(8)15-5-14-6)13-10(19)9(18)11(20-13)7(2)17/h3-5,7,9-11,13,17-19H,1-2H3/t7-,9+,10-,11+,13-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415578
PNG
((2R,3S,4R,5R)-2-((R)-(3,4-difluorophenyl)(hydroxy)...)
Show SMILES OCc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H17F2N3O5/c19-10-2-1-8(5-11(10)20)13(25)16-14(26)15(27)18(28-16)23-4-3-9-12(6-24)21-7-22-17(9)23/h1-5,7,13-16,18,24-27H,6H2/t13-,14+,15-,16-,18-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415565
PNG
((2R,3R,4S,5R)-2-(4-(difluoromethyl)-7H-pyrrolo[2,3...)
Show SMILES O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(ncnc12)C(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C18H16F3N3O4/c19-9-3-1-8(2-4-9)12(25)15-13(26)14(27)18(28-15)24-6-5-10-11(16(20)21)22-7-23-17(10)24/h1-7,12-16,18,25-27H/t12-,13+,14-,15-,18-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415531
PNG
((Scheme S) (2R,3R,4S,5R)-2-(2-amino-4-methyl-7H-py...)
Show SMILES CC[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)nc(N)nc12
Show InChI InChI=1S/C14H20N4O4/c1-3-8(19)11-9(20)10(21)13(22-11)18-5-4-7-6(2)16-14(15)17-12(7)18/h4-5,8-11,13,19-21H,3H2,1-2H3,(H2,15,16,17)/t8-,9+,10-,11-,13-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415508
PNG
(US10428104, Example 44)
Show SMILES C[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
Show InChI InChI=1S/C13H17N3O4/c1-6-8-3-4-16(12(8)15-5-14-6)13-10(19)9(18)11(20-13)7(2)17/h3-5,7,9-11,13,17-19H,1-2H3/t7-,9+,10-,11-,13-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415540
PNG
((Scheme AA) (2S,3S,4R,5R)-2-(hydroxymethyl)-5-(4-m...)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H15N3O4/c1-6-7-2-3-15(11(7)14-5-13-6)12-10(18)9(17)8(4-16)19-12/h2-3,5,8-10,12,16-18H,4H2,1H3/t8-,9+,10+,12+/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415476
PNG
(US10428104, Example 20)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(cc2)S(C)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H21N3O6S/c1-10-13-7-8-22(18(13)21-9-20-10)19-16(25)15(24)17(28-19)14(23)11-3-5-12(6-4-11)29(2,26)27/h3-9,14-17,19,23-25H,1-2H3/t14-,15+,16-,17-,19-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415475
PNG
(US10428104, Example 19)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2cccc(c2)S(C)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H21N3O6S/c1-10-13-6-7-22(18(13)21-9-20-10)19-16(25)15(24)17(28-19)14(23)11-4-3-5-12(8-11)29(2,26)27/h3-9,14-17,19,23-25H,1-2H3/t14-,15+,16-,17-,19-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415576
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(Cl)c(F)c1
Show InChI InChI=1S/C18H18ClFN4O4/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
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415454
PNG
(US10428104, Example 1)
Show SMILES C[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O4/c1-4(17)8-6(18)7(19)11(20-8)16-3-15-5-9(12)13-2-14-10(5)16/h2-4,6-8,11,17-19H,1H3,(H2,12,13,14)/t4-,6+,7-,8-,11-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415583
PNG
(6-((R)-((2R,3S,4R,5R)-3,4-dihydroxy-5-(4-methyl-7H...)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2cccc(OCc3ccccc3)n2)[C@H]2OC(C)(C)O[C@@H]12
Show InChI InChI=1S/C27H28N4O5/c1-16-18-12-13-31(25(18)29-15-28-16)26-24-23(35-27(2,3)36-24)22(34-26)21(32)19-10-7-11-20(30-19)33-14-17-8-5-4-6-9-17/h4-13,15,21-24,26,32H,14H2,1-3H3/t21-,22-,23-,24-,26-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415570
PNG
((2R,3S,4R,5R)-2-(4-fluorobenzyl)-5-(4-methyl-7H-py...)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H](Cc2ccc(F)cc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H18FN3O3/c1-10-13-6-7-22(17(13)21-9-20-10)18-16(24)15(23)14(25-18)8-11-2-4-12(19)5-3-11/h2-7,9,14-16,18,23-24H,8H2,1H3/t14-,15-,16-,18-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415478
PNG
(US10428104, Example 22)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3ncn(C(F)F)c3c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H19F2N5O4/c1-9-11-4-5-26(18(11)24-7-23-9)19-16(30)15(29)17(31-19)14(28)10-2-3-12-13(6-10)27(8-25-12)20(21)22/h2-8,14-17,19-20,28-30H,1H3/t14-,15+,16-,17-,19-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415503
PNG
(US10428104, Example 40)
Show SMILES CC[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
Show InChI InChI=1S/C14H19N3O4/c1-3-9(18)12-10(19)11(20)14(21-12)17-5-4-8-7(2)15-6-16-13(8)17/h4-6,9-12,14,18-20H,3H2,1-2H3/t9-,10+,11-,12-,14-/m1/s1
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n/an/a 114n/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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415574
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(F)c(F)c1
Show InChI InChI=1S/C21H20ClF2N3O4/c1-20(2)30-14-15(31-20)19(27-7-6-11-17(22)25-9-26-18(11)27)29-16(14)21(3,28)10-4-5-12(23)13(24)8-10/h4-9,14-16,19,28H,1-3H3/t14-,15?,16-,19+,21-/m0/s1
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n/an/a 147n/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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415564
PNG
(US10428104, Example 95)
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+/m0/s1
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n/an/a 150n/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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415551
PNG
((2R,3S,4R,5R)-2-((R)-hydroxy(1H-indol-7-yl)methyl)...)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2cccc3cc[nH]c23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H20N4O4/c1-10-12-6-8-24(19(12)23-9-22-10)20-17(27)16(26)18(28-20)15(25)13-4-2-3-11-5-7-21-14(11)13/h2-9,15-18,20-21,25-27H,1H3/t15-,16+,17-,18-,20-/m1/s1
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n/an/a 150n/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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415458
PNG
(US10428104, Example 5)
Show SMILES CCC[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H19N5O4/c1-2-3-6(19)10-8(20)9(21)13(22-10)18-5-17-7-11(14)15-4-16-12(7)18/h4-6,8-10,13,19-21H,2-3H2,1H3,(H2,14,15,16)/t6-,8+,9-,10-,13-/m1/s1
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n/an/a 159n/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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415562
PNG
(US10428104, Example 93)
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+/m0/s1
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n/an/a 299n/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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415572
PNG
((2R,3R,4S,5R)-2-(4-aminothieno[3,4-d]pyrimidin-7-y...)
Show SMILES CC1(C)O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2C(=O)c1ccc(F)cc1)c1scc2c(N)ncnc12
Show InChI InChI=1S/C20H18FN3O4S/c1-20(2)27-15-14(13(25)9-3-5-10(21)6-4-9)26-17(16(15)28-20)18-12-11(7-29-18)19(22)24-8-23-12/h3-8,14-17H,1-2H3,(H2,22,23,24)/t14-,15-,16-,17-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415456
PNG
(US10428104, Example 3)
Show SMILES CC[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H17N5O4/c1-2-5(18)9-7(19)8(20)12(21-9)17-4-16-6-10(13)14-3-15-11(6)17/h3-5,7-9,12,18-20H,2H2,1H3,(H2,13,14,15)/t5-,7+,8-,9-,12-/m1/s1
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n/an/a 333n/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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415560
PNG
((3,4-difluorophenyl)((2S,3S,4R,5R)-3,4-dihydroxy-5...)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C18H15F2N3O4/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/h2-7,14-16,18,25-26H,1H3/t14-,15+,16+,18+/m0/s1
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n/an/a 355n/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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415511
PNG
(US10428104, Example 46)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)C2CC2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H19N3O4/c1-7-9-4-5-18(14(9)17-6-16-7)15-12(21)11(20)13(22-15)10(19)8-2-3-8/h4-6,8,10-13,15,19-21H,2-3H2,1H3/t10-,11+,12-,13-,15-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415534
PNG
(US10428104, Example 65)
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+/m0/s1
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n/an/a 488n/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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415527
PNG
((Scheme P) (3S,4R,5R)-2-(difluoro(4-fluorophenyl)m...)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1OC([C@@H](O)[C@H]1O)C(F)(F)c1ccc(F)cc1
Show InChI InChI=1S/C18H16F3N3O3/c1-9-12-6-7-24(16(12)23-8-22-9)17-14(26)13(25)15(27-17)18(20,21)10-2-4-11(19)5-3-10/h2-8,13-15,17,25-26H,1H3/t13-,14+,15?,17+/m0/s1
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n/an/a 491n/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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415515
PNG
(US10428104, Example 48)
Show SMILES CC(C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
Show InChI InChI=1S/C15H21N3O3/c1-8(2)6-11-12(19)13(20)15(21-11)18-5-4-10-9(3)16-7-17-14(10)18/h4-5,7-8,11-13,15,19-20H,6H2,1-3H3/t11-,12-,13-,15-/m1/s1
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n/an/a 517n/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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415505
PNG
(US10428104, Example 42)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)C2CCCC2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H23N3O4/c1-9-11-6-7-20(16(11)19-8-18-9)17-14(23)13(22)15(24-17)12(21)10-4-2-3-5-10/h6-8,10,12-15,17,21-23H,2-5H2,1H3/t12-,13+,14-,15-,17-/m1/s1
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n/an/a 663n/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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415486
PNG
(US10428104, Example 30)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)CCc2ccccc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H23N3O4/c1-12-14-9-10-23(19(14)22-11-21-12)20-17(26)16(25)18(27-20)15(24)8-7-13-5-3-2-4-6-13/h2-6,9-11,15-18,20,24-26H,7-8H2,1H3/t15-,16+,17-,18-,20-/m1/s1
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n/an/a 752n/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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415479
PNG
(US10428104, Example 23)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3n(cnc3c2)C(F)F)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H19F2N5O4/c1-9-11-4-5-26(18(11)24-7-23-9)19-16(30)15(29)17(31-19)14(28)10-2-3-13-12(6-10)25-8-27(13)20(21)22/h2-8,14-17,19-20,28-30H,1H3/t14-,15+,16-,17-,19-/m1/s1
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n/an/a 793n/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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415538
PNG
((Scheme Y) (2R,3R,4S,5R)-2-(4-methyl-7H-pyrrolo[2,...)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)[C@H]1O)c1cnco1
Show InChI InChI=1S/C14H14N4O4/c1-7-8-2-3-18(13(8)17-5-16-7)14-11(20)10(19)12(22-14)9-4-15-6-21-9/h2-6,10-12,14,19-20H,1H3/t10-,11+,12-,14+/m0/s1
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n/an/a 1.05E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415519
PNG
(US10428104, Example 52)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)C2CCC2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H21N3O4/c1-8-10-5-6-19(15(10)18-7-17-8)16-13(22)12(21)14(23-16)11(20)9-3-2-4-9/h5-7,9,11-14,16,20-22H,2-4H2,1H3/t11-,12+,13-,14-,16-/m1/s1
PDB

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n/an/a 1.26E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415498
PNG
(US10428104, Example 39)
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+/m0/s1
PDB

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n/an/a 1.55E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415536
PNG
((Scheme W) (2R,3R,4S,5S)-2-(4-amino-5-fluoro-7H-py...)
Show SMILES Nc1ncnc2n(cc(F)c12)[C@@H]1O[C@H]([C@@H](O)[C@H]1O)c1ccccc1
Show InChI InChI=1S/C16H15FN4O3/c17-9-6-21(15-10(9)14(18)19-7-20-15)16-12(23)11(22)13(24-16)8-4-2-1-3-5-8/h1-7,11-13,16,22-23H,(H2,18,19,20)/t11-,12+,13-,16+/m0/s1
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n/an/a 1.56E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415558
PNG
((S)-1-((3aR,4S,6R,6aR)-2,2-dimethyl-6-(4-methyl-7H...)
Show SMILES CC(O)[C@@H]1O[C@H]([C@@H]2OC(C)(C)O[C@H]12)n1ccc2c(C)ncnc12
Show InChI InChI=1S/C16H21N3O4/c1-8-10-5-6-19(14(10)18-7-17-8)15-13-12(11(21-15)9(2)20)22-16(3,4)23-13/h5-7,9,11-13,15,20H,1-4H3/t9?,11-,12+,13+,15+/m0/s1
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n/an/a 1.73E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415491
PNG
(US10428104, Example 35 | US10428104, Example 37)
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+/m0/s1
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n/an/a 1.74E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415509
PNG
(US10428104, Example 45)
Show SMILES CC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
Show InChI InChI=1S/C13H17N3O3/c1-3-9-10(17)11(18)13(19-9)16-5-4-8-7(2)14-6-15-12(8)16/h4-6,9-11,13,17-18H,3H2,1-2H3/t9-,10-,11-,13-/m1/s1
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n/an/a 1.74E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415545
PNG
(US10428104, Example 76)
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
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n/an/a 1.81E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415460
PNG
(US10428104, Example 7)
Show SMILES CC(C)C[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H21N5O4/c1-6(2)3-7(20)11-9(21)10(22)14(23-11)19-5-18-8-12(15)16-4-17-13(8)19/h4-7,9-11,14,20-22H,3H2,1-2H3,(H2,15,16,17)/t7-,9+,10-,11-,14-/m1/s1
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n/an/a 1.83E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415526
PNG
((Scheme O) (2R,3S,4R,5R)-2-((1H-pyrazol-1-yl)methy...)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H](Cn2cccn2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H17N5O3/c1-9-10-3-6-20(14(10)17-8-16-9)15-13(22)12(21)11(23-15)7-19-5-2-4-18-19/h2-6,8,11-13,15,21-22H,7H2,1H3/t11-,12-,13-,15-/m1/s1
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n/an/a 1.98E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415535
PNG
((Scheme U) (2R,3R,4S,5S)-2-(4-methyl-7H-pyrrolo[2,...)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)[C@H]1O)c1ccccc1
Show InChI InChI=1S/C17H17N3O3/c1-10-12-7-8-20(16(12)19-9-18-10)17-14(22)13(21)15(23-17)11-5-3-2-4-6-11/h2-9,13-15,17,21-22H,1H3/t13-,14+,15-,17+/m0/s1
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n/an/a 1.99E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415541
PNG
((Scheme BB) (2R,3R,4S,5S)-2-(4-methyl-7H-pyrrolo[2...)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)[C@H]1O)c1ccn[nH]1
Show InChI InChI=1S/C14H15N5O3/c1-7-8-3-5-19(13(8)16-6-15-7)14-11(21)10(20)12(22-14)9-2-4-17-18-9/h2-6,10-12,14,20-21H,1H3,(H,17,18)/t10-,11+,12-,14+/m0/s1
PDB

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n/an/a 2.03E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415471
PNG
(US10428104, Example 17)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1OC([C@H](O)c2cc(F)cc(c2)C(F)(F)F)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H17F4N3O4/c1-8-12-2-3-26(17(12)25-7-24-8)18-15(29)14(28)16(30-18)13(27)9-4-10(19(21,22)23)6-11(20)5-9/h2-7,13-16,18,27-29H,1H3/t13-,14+,15-,16?,18-/m1/s1
PDB

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n/an/a 2.27E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415489
PNG
(US10428104, Example 33)
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+/m0/s1
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n/an/a 2.64E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415491
PNG
(US10428104, Example 35 | US10428104, Example 37)
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+/m0/s1
PDB

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n/an/a 2.64E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415543
PNG
(US10428104, Example 74)
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
PDB

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n/an/a 3.14E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415559
PNG
(2-((3aR,4R,6R,6aR)-2,2-dimethyl-6-(4-methyl-7H-pyr...)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H]2OC(C)(C)O[C@@H]12)C(C)(C)O
Show InChI InChI=1S/C17H23N3O4/c1-9-10-6-7-20(14(10)19-8-18-9)15-12-11(23-17(4,5)24-12)13(22-15)16(2,3)21/h6-8,11-13,15,21H,1-5H3/t11-,12+,13+,15+/m0/s1
PDB

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n/an/a 3.24E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415504
PNG
(US10428104, Example 41)
Show SMILES CC[C@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
Show InChI InChI=1S/C14H19N3O4/c1-3-9(18)12-10(19)11(20)14(21-12)17-5-4-8-7(2)15-6-16-13(8)17/h4-6,9-12,14,18-20H,3H2,1-2H3/t9-,10-,11+,12+,14+/m0/s1
PDB

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n/an/a 3.85E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415455
PNG
(US10428104, Example 2)
Show SMILES C[C@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O4/c1-4(17)8-6(18)7(19)11(20-8)16-3-15-5-9(12)13-2-14-10(5)16/h2-4,6-8,11,17-19H,1H3,(H2,12,13,14)/t4-,6-,7+,8+,11+/m0/s1
PDB

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n/an/a 3.91E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415523
PNG
(US10428104, Example 55)
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+/m0/s1
PDB

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n/an/a 4.76E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415579
PNG
((2R,3S,4R,5R)-2-((R)-(3,4-difluorophenyl)(methylam...)
Show SMILES CN[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C19H20F2N4O3/c1-9-11-5-6-25(18(11)24-8-23-9)19-16(27)15(26)17(28-19)14(22-2)10-3-4-12(20)13(21)7-10/h3-8,14-17,19,22,26-27H,1-2H3/t14-,15+,16-,17-,19-/m1/s1
PDB

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n/an/a 4.84E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415483
PNG
(US10428104, Example 27)
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+/m0/s1
PDB

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n/an/a 5.17E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415548
PNG
((Scheme HH) (2S,3S,4R,5R)-2-(1,2-dihydroxyethyl)-5...)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@@H](C(O)CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C13H17N3O5/c1-6-7-2-3-16(12(7)15-5-14-6)13-10(20)9(19)11(21-13)8(18)4-17/h2-3,5,8-11,13,17-20H,4H2,1H3/t8?,9-,10+,11-,13+/m0/s1
PDB

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n/an/a 5.23E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415537
PNG
((Scheme X) (2R,3R,4S,5S)-2-(2-amino-4-methyl-7H-py...)
Show SMILES Cc1nc(N)nc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)[C@H]1O)c1ccccc1
Show InChI InChI=1S/C17H18N4O3/c1-9-11-7-8-21(15(11)20-17(18)19-9)16-13(23)12(22)14(24-16)10-5-3-2-4-6-10/h2-8,12-14,16,22-23H,1H3,(H2,18,19,20)/t12-,13+,14-,16+/m0/s1
PDB

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n/an/a 5.50E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415525
PNG
(US10428104, Example 57)
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
PDB

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n/an/a 6.31E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415520
PNG
(US10428104, Example 53)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)C2CCC2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H21N3O4/c1-8-10-5-6-19(15(10)18-7-17-8)16-13(22)12(21)14(23-16)11(20)9-3-2-4-9/h5-7,9,11-14,16,20-22H,2-4H2,1H3/t11-,12-,13+,14+,16+/m0/s1
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n/an/a 9.23E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415484
PNG
(US10428104, Example 28)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)Cc2ccccc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H21N3O4/c1-11-13-7-8-22(18(13)21-10-20-11)19-16(25)15(24)17(26-19)14(23)9-12-5-3-2-4-6-12/h2-8,10,14-17,19,23-25H,9H2,1H3/t14-,15+,16-,17-,19-/m1/s1
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n/an/a 1.12E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415518
PNG
(US10428104, Example 51)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)c2cnn(C)c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H19N5O4/c1-8-10-3-4-21(15(10)18-7-17-8)16-13(24)12(23)14(25-16)11(22)9-5-19-20(2)6-9/h3-7,11-14,16,22-24H,1-2H3/t11-,12-,13+,14+,16+/m0/s1
PDB

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n/an/a 1.47E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415512
PNG
(US10428104, Example 47)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)C2CC2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H19N3O4/c1-7-9-4-5-18(14(9)17-6-16-7)15-12(21)11(20)13(22-15)10(19)8-2-3-8/h4-6,8,10-13,15,19-21H,2-3H2,1H3/t10-,11-,12+,13+,15+/m0/s1
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n/an/a 1.54E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415461
PNG
(US10428104, Example 8)
Show SMILES CC(C)C[C@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H21N5O4/c1-6(2)3-7(20)11-9(21)10(22)14(23-11)19-5-18-8-12(15)16-4-17-13(8)19/h4-7,9-11,14,20-22H,3H2,1-2H3,(H2,15,16,17)/t7-,9-,10+,11+,14+/m0/s1
PDB

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n/an/a 1.79E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415459
PNG
(US10428104, Example 6)
Show SMILES CCC[C@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H19N5O4/c1-2-3-6(19)10-8(20)9(21)13(22-10)18-5-17-7-11(14)15-4-16-12(7)18/h4-6,8-10,13,19-21H,2-3H2,1H3,(H2,14,15,16)/t6-,8-,9+,10+,13+/m0/s1
PDB

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n/an/a 2.11E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415544
PNG
(US10428104, Example 75)
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+/m0/s1
PDB

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n/an/a 2.17E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415542
PNG
(US10428104, Example 73)
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+/m0/s1
PDB

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n/an/a 2.33E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415546
PNG
((Scheme FF) (2S,3S,4R,5R)-2-(1-methyl-1H-pyrazol-3...)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)[C@H]1O)c1ccn(C)n1
Show InChI InChI=1S/C15H17N5O3/c1-8-9-3-6-20(14(9)17-7-16-8)15-12(22)11(21)13(23-15)10-4-5-19(2)18-10/h3-7,11-13,15,21-22H,1-2H3/t11-,12+,13-,15+/m0/s1
PDB

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n/an/a 2.44E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415480
PNG
(US10428104, Example 24)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)CS(=O)(=O)c2ccccc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H21N3O6S/c1-11-13-7-8-22(18(13)21-10-20-11)19-16(25)15(24)17(28-19)14(23)9-29(26,27)12-5-3-2-4-6-12/h2-8,10,14-17,19,23-25H,9H2,1H3/t14-,15+,16-,17-,19-/m1/s1
PDB

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n/an/a 3.08E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415516
PNG
(US10428104, Example 49)
Show SMILES CC(C)[C@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
Show InChI InChI=1S/C15H21N3O4/c1-7(2)10(19)13-11(20)12(21)15(22-13)18-5-4-9-8(3)16-6-17-14(9)18/h4-7,10-13,15,19-21H,1-3H3/t10-,11-,12+,13+,15+/m0/s1
PDB

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n/an/a 3.75E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415457
PNG
(US10428104, Example 4)
Show SMILES CC[C@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H17N5O4/c1-2-5(18)9-7(19)8(20)12(21-9)17-4-16-6-10(13)14-3-15-11(6)17/h3-5,7-9,12,18-20H,2H2,1H3,(H2,13,14,15)/t5-,7-,8+,9+,12+/m0/s1
PDB

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n/an/a 4.41E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415547
PNG
((Scheme GG) (2S,3S,4R,5R)-2-(3-(ethoxymethyl)-1H-p...)
Show SMILES CCOCc1cc([nH]n1)[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
Show InChI InChI=1S/C17H21N5O4/c1-3-25-7-10-6-12(21-20-10)15-13(23)14(24)17(26-15)22-5-4-11-9(2)18-8-19-16(11)22/h4-6,8,13-15,17,23-24H,3,7H2,1-2H3,(H,20,21)/t13-,14+,15-,17+/m0/s1
PDB

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n/an/a 5.11E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415487
PNG
(US10428104, Example 31)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)CCc2ccccc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H23N3O4/c1-12-14-9-10-23(19(14)22-11-21-12)20-17(26)16(25)18(27-20)15(24)8-7-13-5-3-2-4-6-13/h2-6,9-11,15-18,20,24-26H,7-8H2,1H3/t15-,16-,17+,18+,20+/m0/s1
PDB

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n/an/a 6.17E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415506
PNG
(US10428104, Example 43)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)C2CCCC2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H23N3O4/c1-9-11-6-7-20(16(11)19-8-18-9)17-14(23)13(22)15(24-17)12(21)10-4-2-3-5-10/h6-8,10,12-15,17,21-23H,2-5H2,1H3/t12-,13-,14+,15+,17+/m0/s1
PDB

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n/an/a 7.40E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415550
PNG
(((3aS,4S,6R,6aR)-2,2-dimethyl-6-(4-methyl-7H-pyrro...)
Show SMILES Cc1ccccc1[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
Show InChI InChI=1S/C19H21N3O4/c1-10-5-3-4-6-12(10)14(23)17-15(24)16(25)19(26-17)22-8-7-13-11(2)20-9-21-18(13)22/h3-9,14-17,19,23-25H,1-2H3/t14-,15+,16-,17-,19-/m1/s1
PDB

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n/an/a 9.17E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM415485
PNG
(US10428104, Example 29)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)Cc2ccccc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H21N3O4/c1-11-13-7-8-22(18(13)21-10-20-11)19-16(25)15(24)17(26-19)14(23)9-12-5-3-2-4-6-12/h2-8,10,14-17,19,23-25H,9H2,1H3/t14-,15-,16+,17+,19+/m0/s1
PDB

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n/an/a 2.00E+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)


BindingDB Entry DOI: 10.7270/Q2PG1V45
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%