| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L035041
BDB035041
|
US20240368153, Example 10-5
Cc1cc2ncc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@H]3CCCc4nccnc43)cc2nc1N
|
C25H22F3N7O 493.493000 |
VSRTXQHVPZHROV-NRFANRHFSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703968; PubChem:CID172487124
|
Local ready
Direct docking supported
|
|
E3L035042
BDB035042
|
US20240368153, Example 10-6
Cc1cc2ncc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)C3CCCc4nccnc43)cc2nc1N
|
C25H22F3N7O 493.493000 |
VSRTXQHVPZHROV-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703969; PubChem:CID172487118
|
Local ready
Direct docking supported
|
|
E3L035043
BDB035043
|
US20240368153, Example 10-7
Cc1cc2ncc(C(=O)N(Cc3ccc(Br)cn3)[C@@H](C)c3ncccn3)cc2nc1N
|
C22H20BrN7O 478.354000 |
DPKMKUVJFYPCMO-AWEZNQCLSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703970; PubChem:CID172487098
|
Local ready
Direct docking supported
|
|
E3L035044
BDB035044
|
US20240368153, Example 10-8
Cc1cc2ncc(C(=O)N(Cc3ccc(Br)cn3)[C@H](C)c3ncccn3)cc2nc1N
|
C22H20BrN7O 478.354000 |
DPKMKUVJFYPCMO-CQSZACIVSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703971; PubChem:CID172487109
|
Local ready
Direct docking supported
|
|
E3L035045
BDB035045
|
US20240368153, Example 10-9
Cc1cc(N)nc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@H]3CCCc4nccnc43)cnc12
|
C25H22F3N7O 493.493000 |
AMNPCLREWCIOTK-FQEVSTJZSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703972; PubChem:CID172487093
|
Local ready
Direct docking supported
|
|
E3L035046
BDB035046
|
US20240398811, Example 29
Cc1cc(-c2cnc(NCc3c(Cl)ccc4occc34)n3cc(C#N)nc23)n(C)n1
|
C21H16ClN7O 417.860000 |
PDWYVOPYDRGEFP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM706963; PubChem:CID172538432
|
Local ready
Direct docking supported
|
|
E3L035047
BDB035047
|
US20240398811, Example 30
Cc1cc(-c2cnc(NCc3cccc4occc34)n3cc(C#N)nc23)n(C)n1
|
C21H17N7O 383.415000 |
IQEGSFXKOHVTHB-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM706964; PubChem:CID172538433
|
Local ready
Direct docking supported
|
|
E3L035048
BDB035048
|
BDBM706996
COc1ccc(OC2CCC2)cc1S(=O)(=O)Nc1noc2cc(Cn3cccn3)cc(OC)c12
|
C23H24N4O6S 484.534000 |
WXHWPJMDADBNSX-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM706996; PubChem:CID167301208
|
Local ready
Direct docking supported
|
|
E3L035049
BDB035049
|
BDBM706997
COc1ccc(N2CCC2)cc1S(=O)(=O)Nc1noc2cc(Cn3cccn3)cc(OC)c12
|
C22H23N5O5S 469.523000 |
BTZRVQBAJSUADJ-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM706997; PubChem:CID167300944
|
Local ready
Direct docking supported
|
|
E3L035050
BDB035050
|
BDBM706998
C#Cc1ccc(OC)c(S(=O)(=O)Nc2noc3cc(Cn4cccn4)cc(OC)c23)c1
|
C21H18N4O5S 438.465000 |
BAIIVDBVHNQABT-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM706998; PubChem:CID167300935
|
Local ready
Direct docking supported
|
|
E3L035051
BDB035051
|
BDBM706999
C#Cc1cc(OC)c(S(=O)(=O)Nc2noc3cc(Cn4cccn4)cc(OC)c23)c(OC)c1
|
C22H20N4O6S 468.491000 |
HWPRUSYNAFZYEU-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM706999; PubChem:CID167301188
|
Local ready
Direct docking supported
|
|
E3L035052
BDB035052
|
BDBM707000
COc1ccc(N2CCN(C)CC2)cc1S(=O)(=O)Nc1noc2cc(Cn3cccn3)cc(OC)c12
|
C24H28N6O5S 512.592000 |
FWWDJZIPWXYPCM-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM707000; PubChem:CID167300945
|
Local ready
Direct docking supported
|
|
E3L035053
BDB035053
|
BDBM707001
COc1ccc(N2CCOCC2)cc1S(=O)(=O)Nc1noc2cc(Cn3cccn3)cc(OC)c12
|
C23H25N5O6S 499.549000 |
OQTIRVDTSMIQIG-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM707001; PubChem:CID167300959
|
Local ready
Direct docking supported
|
|
E3L035054
BDB035054
|
BDBM707002
COc1ccc(C#CC2CC2)cc1S(=O)(=O)Nc1noc2cc(Cn3cccn3)cc(OC)c12
|
C24H22N4O5S 478.530000 |
PFSVFCYUJXBOTA-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM707002; PubChem:CID167300953
|
Local ready
Direct docking supported
|
|
E3L035055
BDB035055
|
BDBM707003
COc1ccc(C#CC2CC2)cc1S(=O)(=O)NC(=O)c1cc2ccc(N(C)C)cc2o1
|
C23H22N2O5S 438.505000 |
OUMPLWXCZRSAPR-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM707003; PubChem:CID167300966
|
Local ready
Direct docking supported
|
|
E3L035056
BDB035056
|
BDBM707004
CC#Cc1cc(OC)c(S(=O)(=O)Nc2noc3cc(Cn4cccn4)cc(OC)c23)c(OC)c1
|
C23H22N4O6S 482.518000 |
SJBOEQBAYMLAMT-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM707004; PubChem:CID167300961
|
Local ready
Direct docking supported
|
|
E3L035057
BDB035057
|
BDBM707005
COc1cc(C#CC2CC2)cc(OC)c1S(=O)(=O)Nc1noc2cc(Cn3cccn3)cc(OC)c12
|
C25H24N4O6S 508.556000 |
VQOBATQZJVXPEU-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM707005; PubChem:CID167300952
|
Local ready
Direct docking supported
|
|
E3L035058
BDB035058
|
BDBM707006
C#Cc1ccc(S(=O)(=O)Nc2noc3cc(Cn4cccn4)cc(OC)c23)c(OC)c1
|
C21H18N4O5S 438.465000 |
HVIQAUBZRJFCTH-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM707006; PubChem:CID167301480
|
Local ready
Direct docking supported
|
|
E3L035059
BDB035059
|
BDBM707007
COc1cc(C#CC2CC2)ccc1S(=O)(=O)Nc1noc2cc(Cn3cccn3)cc(OC)c12
|
C24H22N4O5S 478.530000 |
WUIIBBKYBLNFBN-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM707007; PubChem:CID167300929
|
Local ready
Direct docking supported
|
|
E3L035060
BDB035060
|
BDBM707008
CC#Cc1ccc(OC)c(S(=O)(=O)Nc2noc3cc(Cn4cccn4)cc(OC)c23)c1
|
C22H20N4O5S 452.492000 |
FMLMHVAEIOSYDV-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM707008; PubChem:CID167300926
|
Local ready
Direct docking supported
|