| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L023101
BDB023101
|
US11220524, Example 15-C
C[C@@](O)(c1ccc(Cl)c(F)c1)[C@H]1O[C@@H](n2cc(F)c3c(N)ncnc32)[C@H](O)[C@@H]1O
|
C18H17ClF2N4O4 426.807000 |
WZVHNCLDXMIBSL-IZOOLLGQSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM533497; PubChem:CID154029245
|
Local ready
Direct docking supported
|
|
E3L023102
BDB023102
|
US11220524, Example 21-C
C[C@@](O)(c1ccc(Cl)s1)[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O
|
C16H17ClN4O4S 396.856000 |
BEWFVLYVAWLKQZ-SCYJSFNGSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM533498; PubChem:CID154029246
|
Local ready
Direct docking supported
|
|
E3L023103
BDB023103
|
US11220509, Example 142
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnn3)c2n1
|
C20H14FN7O 387.378000 |
YNRNVHJGNIKGPW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM533500; PubChem:CID155676959
|
Local ready
Direct docking supported
|
|
E3L023104
BDB023104
|
US11220509, Example 140
O=C(O)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(C3CCNCC3)c2n1
|
C21H22FN5O3 411.437000 |
AQEHGQLBCAFNCH-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM533517; PubChem:CID166595741
|
Local ready
Direct docking supported
|
|
E3L023105
BDB023105
|
BDBM533530
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccn(CC4CCCO4)n3)c2n1
|
C24H22FN7O2 459.485000 |
PIRZDXQMMZIWOI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM533530; PubChem:CID155676947
|
Local ready
Direct docking supported
|
|
E3L023106
BDB023106
|
BDBM533532
Cc1cc(-c2cnc(NCc3c(F)ccc4c3C(O)CO4)n3cc(C#N)nc23)n(C)n1
|
C21H18FN7O2 419.420000 |
HFXKNOVSZHJOEP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM533532; PubChem:CID150411702
|
Local ready
Direct docking supported
|
|
E3L023107
BDB023107
|
BDBM533533
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc[nH]c3=O)c2n1
|
C21H15FN6O2 402.389000 |
MWJPMJGDQFPEDL-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM533533; PubChem:CID177660377
|
Local ready
Direct docking supported
|
|
E3L023108
BDB023108
|
US11220509, Example 213
Cc1cc(C2CCCN2C(=O)OC(C)(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C32H33FN6O3 568.653000 |
ANUTYVDNSIRALF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM533589; PubChem:CID155676952
|
Local ready
Direct docking supported
|
|
E3L023109
BDB023109
|
US11220509, Example 228
Cc1cc(-c2cnc(NCc3c(F)ccc4c3OCO4)n3cc(C#N)nc23)n(C)n1
|
C20H16FN7O2 405.393000 |
FOBKSISMMONNAI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM533604; PubChem:CID155788011
|
Local ready
Direct docking supported
|
|
E3L023110
BDB023110
|
BDBM533606
CN(C)CCn1nccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C23H23FN8O 446.490000 |
PYPNAVIDPGTVCP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM533606; PubChem:CID139371722
|
Local ready
Direct docking supported
|
|
E3L023111
BDB023111
|
US11220509, Example 209
Cn1nc(C(=O)N2CCOCC2)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C25H23FN8O3 502.510000 |
DMGKYKIBWJRSOF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM533610; PubChem:CID155676935
|
Local ready
Direct docking supported
|
|
E3L023112
BDB023112
|
WO2022081807, Example 1
COc1cccc(OC)c1S(=O)(=O)NC(=O)c1cc2c(F)cc(N3CCC3)cc2o1
|
C20H19FN2O6S 434.445000 |
RIAWWGSGYCKQSG-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM533866; PubChem:CID166596308
|
Local ready
Direct docking supported
|
|
E3L023113
BDB023113
|
WO2022081807, Example 2
CCOc1ccccc1S(=O)(=O)NC(=O)c1cc2c(F)cc(N3CCC3)cc2o1
|
C20H19FN2O5S 418.446000 |
XKBVDFIVHCHXTG-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM533867; PubChem:CID166596034
|
Local ready
Direct docking supported
|
|
E3L023114
BDB023114
|
WO2022081807, Example 3
CCc1ccc(OC2CCCC2)c(S(=O)(=O)NC(=O)c2cc3c(F)cc(N4CCC4)cc3o2)c1
|
C25H27FN2O5S 486.565000 |
ZHYKDVWLGMGDJB-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM533868; PubChem:CID166595587
|
Local ready
Direct docking supported
|
|
E3L023115
BDB023115
|
WO2022081807, Example 4
CCC(C)Oc1ccc(C)cc1S(=O)(=O)NC(=O)c1cc2c(F)cc(N3CCC3)cc2o1
|
C23H25FN2O5S 460.527000 |
RFURQFFCSYWIRO-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM533869; PubChem:CID166595810
|
Local ready
Direct docking supported
|
|
E3L023116
BDB023116
|
WO2022081807, Example 5
O=C(NS(=O)(=O)c1c(OCc2ccccc2)cccc1OC1CCC1)c1cc2c(F)cc(N3CCC3)cc2o1
|
C29H27FN2O6S 550.608000 |
OXWQMCIMOJHKFL-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM533872; PubChem:CID166595885
|
Local ready
Direct docking supported
|
|
E3L023117
BDB023117
|
WO2022081807, Example 6
CCOc1ccc(C)cc1S(=O)(=O)NC(=O)c1cc2c(F)cc(N3CCC3)cc2o1
|
C21H21FN2O5S 432.473000 |
QXBAJCPCJWSADB-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM533873; PubChem:CID166596473
|
Local ready
Direct docking supported
|
|
E3L023118
BDB023118
|
WO2022081807, Example 7
CCOc1cccc(Oc2ccccc2)c1S(=O)(=O)NC(=O)c1cc2c(F)cc(N3CCC3)cc2o1
|
C26H23FN2O6S 510.543000 |
XRVTXMCAZCLLRJ-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM533874; PubChem:CID166595783
|
Local ready
Direct docking supported
|
|
E3L023119
BDB023119
|
WO2022081807, Example 8
COc1ccc2cccnc2c1S(=O)(=O)NC(=O)c1cc2c(F)cc(N3CCC3)cc2o1
|
C22H18FN3O5S 455.467000 |
UGINJQWUNRERHN-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM533875; PubChem:CID166596331
|
Local ready
Direct docking supported
|
|
E3L023120
BDB023120
|
WO2022081807, Example 9
Cc1ccc(OCC2CCCC2)c(S(=O)(=O)NC(=O)c2cc3c(F)cc(N4CCC4)cc3o2)c1
|
C25H27FN2O5S 486.565000 |
FNMIWKDCTFOFSQ-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM533876; PubChem:CID166595945
|
Local ready
Direct docking supported
|