| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L021241
BDB021241
|
US11091495, Example 82
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(=O)(=O)C(F)(F)F)cc3)c2n1
|
C23H15F4N5O3S 517.464000 |
NKTNOHOGUWQKAQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513721; PubChem:CID155787990
|
Local ready
Direct docking supported
|
|
E3L021242
BDB021242
|
US11091495, Example 83
CN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(Cl)c1F
|
C25H21ClF2N6O 494.933000 |
DKIXRKPUWWZSJK-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513722; PubChem:CID155788069
|
Local ready
Direct docking supported
|
|
E3L021243
BDB021243
|
US11091495, Example 84
Cc1cc(CN(C)C)c(F)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C26H24F2N6O 474.515000 |
XLQNMGXKIXDYJN-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513723; PubChem:CID155788094
|
Local ready
Direct docking supported
|
|
E3L021244
BDB021244
|
US11091495, Example 85
Cc1c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)ccc(CN(C)C)c1F
|
C26H24F2N6O 474.515000 |
OAPDZWVUQURENI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513724; PubChem:CID156051007
|
Local ready
Direct docking supported
|
|
E3L021245
BDB021245
|
US11091495, Example 87
Cc1cc(S(C)(=O)=O)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C24H20FN5O3S 477.521000 |
FNHUVEMKBOXZIE-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513726; PubChem:CID155369138
|
Local ready
Direct docking supported
|
|
E3L021246
BDB021246
|
US11091495, Example 88
COc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(C)n1
|
C22H18FN7O2 431.431000 |
OGKQBKDNMIMPLP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513727; PubChem:CID155787994
|
Local ready
Direct docking supported
|
|
E3L021247
BDB021247
|
US11091495, Example 89
Cc1nc(OC(C)C)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C24H22FN7O2 459.485000 |
KQJCRYVVEQPVFT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513728; PubChem:CID155788048
|
Local ready
Direct docking supported
|
|
E3L021248
BDB021248
|
US11091495, Example 90
CC(c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1)N1CCCC1
|
C28H27FN6O 482.563000 |
NJZZEOZWMRKMKY-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513729; PubChem:CID155788020
|
Local ready
Direct docking supported
|
|
E3L021249
BDB021249
|
US11091495, Example 91
COc1cc(Cl)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
|
C22H16ClFN6O2 450.861000 |
WFYHTTBNCRIVNL-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513730; PubChem:CID155788032
|
Local ready
Direct docking supported
|
|
E3L021250
BDB021250
|
US11091495, Example 92
Cc1nn(C(C)C)c(C)c1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C24H24FN7O 445.502000 |
JCFPVARYWWHQNE-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513731; PubChem:CID155788123
|
Local ready
Direct docking supported
|
|
E3L021251
BDB021251
|
US11091495, Example 93
COc1cncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c1
|
C22H17FN6O2 416.416000 |
FWWWIHODKGFTKG-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513732; PubChem:CID155788120
|
Local ready
Direct docking supported
|
|
E3L021252
BDB021252
|
US11091495, Example 94
COc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
|
C22H17FN6O2 416.416000 |
KLSNAVOANZFTRJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513733; PubChem:CID155788019
|
Local ready
Direct docking supported
|
|
E3L021253
BDB021253
|
US11091495, Example 95
N#Cc1cncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c1
|
C22H14FN7O 411.400000 |
XWNVGSZJRCDLBJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513734; PubChem:CID156050902
|
Local ready
Direct docking supported
|
|
E3L021254
BDB021254
|
US11091495, Example 96
Cc1cncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c1
|
C22H17FN6O 400.417000 |
NQZHCLOREJNARD-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513735; PubChem:CID155788079
|
Local ready
Direct docking supported
|
|
E3L021255
BDB021255
|
US11091495, Example 97
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cncc(F)c3)c2n1
|
C21H14F2N6O 404.380000 |
MGFCUBHOHMZGJB-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513736; PubChem:CID155788025
|
Local ready
Direct docking supported
|
|
E3L021256
BDB021256
|
US11091495, Example 98
Cc1ccncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C22H17FN6O 400.417000 |
KNJWUVCWHYCFIS-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513737; PubChem:CID155788022
|
Local ready
Direct docking supported
|
|
E3L021257
BDB021257
|
US11091495, Example 99
CC(C)n1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
|
C22H20FN7O 417.448000 |
SRZSJRHVBCIUSX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513738; PubChem:CID155788042
|
Local ready
Direct docking supported
|
|
E3L021258
BDB021258
|
US11091495, Example 100
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnc3)c2n1
|
C21H15FN6O 386.390000 |
MJCGGZHEKNGFCY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513739; PubChem:CID155787981
|
Local ready
Direct docking supported
|
|
E3L021259
BDB021259
|
US11091495, Example 101
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(Cc4cccnc4)c3)c2n1
|
C25H19FN8O 466.480000 |
PSEGDJQRHVDTGV-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513740; PubChem:CID155788138
|
Local ready
Direct docking supported
|
|
E3L021260
BDB021260
|
US11091495, Example 102
CN(C)CCn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
|
C23H23FN8O 446.490000 |
ZZGXEORREMDNQW-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513741; PubChem:CID155788136
|
Local ready
Direct docking supported
|