| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L035061
BDB035061
|
BDBM707009
COc1cc(C#CC2CC(F)(F)C2)cc(OC)c1S(=O)(=O)Nc1noc2cc(Cn3cccn3)cc(OC)c12
|
C26H24F2N4O6S 558.563000 |
NHRYKDJEDYZRBB-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM707009; PubChem:CID167300968
|
Local ready
Direct docking supported
|
|
E3L035062
BDB035062
|
BDBM707010
CC#Cc1ccc(S(=O)(=O)Nc2noc3cc(Cn4cccn4)cc(OC)c23)c(OC)c1
|
C22H20N4O5S 452.492000 |
KVVKQHVCJPSTNV-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM707010; PubChem:CID167300939
|
Local ready
Direct docking supported
|
|
E3L035063
BDB035063
|
BDBM707011
COc1cc(C#Cc2cccnc2)cc(OC)c1S(=O)(=O)Nc1noc2cc(Cn3cccn3)cc(OC)c12
|
C27H23N5O6S 545.577000 |
UVNFFFINYVEKDX-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM707011; PubChem:CID167300969
|
Local ready
Direct docking supported
|
|
E3L035064
BDB035064
|
BDBM707012
COc1cc(C#Cc2cccnc2)cc(O)c1S(=O)(=O)Nc1noc2cc(Cn3cccn3)cc(OC)c12
|
C26H21N5O6S 531.550000 |
JNXPJKCFGFLTSV-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM707012; PubChem:CID167300971
|
Local ready
Direct docking supported
|
|
E3L035065
BDB035065
|
BDBM707013
COc1cc(C#CC2CN(C(=O)OC(C)(C)C)C2)cc(OC)c1S(=O)(=O)Nc1noc2cc(Cn3cccn3)cc(OC)c12
|
C30H33N5O8S 623.688000 |
VOOOHQFAKGZVSP-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM707013; PubChem:CID167300946
|
Local ready
Direct docking supported
|
|
E3L035066
BDB035066
|
BDBM707014
COc1cc(C#CC2CNC2)cc(OC)c1S(=O)(=O)Nc1noc2cc(Cn3cccn3)cc(OC)c12
|
C25H25N5O6S 523.571000 |
DLVURPFCFQWARX-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM707014; PubChem:CID167300947
|
Local ready
Direct docking supported
|
|
E3L035067
BDB035067
|
BDBM707015
COc1cc(C#CC2CN(C)C2)cc(OC)c1S(=O)(=O)Nc1noc2cc(Cn3cccn3)cc(OC)c12
|
C26H27N5O6S 537.598000 |
CDFQCTFRLLDQJR-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM707015; PubChem:CID167300955
|
Local ready
Direct docking supported
|
|
E3L035068
BDB035068
|
BDBM707016
CC#Cc1cccc(OC)c1S(=O)(=O)Nc1noc2cc(Cn3cccn3)cc(OC)c12
|
C22H20N4O5S 452.492000 |
DJRACYPFQMVMMK-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM707016; PubChem:CID167300956
|
Local ready
Direct docking supported
|
|
E3L035069
BDB035069
|
BDBM707017
COc1cc(C#CC2CN(C)C2)ccc1S(=O)(=O)Nc1noc2cc(Cn3cccn3)cc(OC)c12
|
C25H25N5O5S 507.572000 |
VEQXUYNHMPNMSZ-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM707017; PubChem:CID167300948
|
Local ready
Direct docking supported
|
|
E3L035070
BDB035070
|
US11220509, Example 142
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnn3)c2n1
|
C20H14FN7O 387.378000 |
YNRNVHJGNIKGPW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707076; PubChem:CID155676959
|
Local ready
Direct docking supported
|
|
E3L035071
BDB035071
|
BDBM707081
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CO)nc3)c2n1
|
C22H17FN6O2 416.416000 |
RELJOVYVSLYYAF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707081; PubChem:CID139371653
|
Local ready
Direct docking supported
|
|
E3L035072
BDB035072
|
BDBM707082
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnc3CO)c2n1
|
C22H17FN6O2 416.416000 |
GZNSVNWPLOOUOU-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707082; PubChem:CID139371559
|
Local ready
Direct docking supported
|
|
E3L035073
BDB035073
|
BDBM707083
CN(C)Cc1c(F)cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1F
|
C25H21F3N6O 478.478000 |
ISXVDIQXEBGFIC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707083; PubChem:CID139370906
|
Local ready
Direct docking supported
|
|
E3L035074
BDB035074
|
BDBM707089
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 |
BindingDB, PubChem
BindingDB:BDBM707089; PubChem:CID150411702
|
Local ready
Direct docking supported
|
|
E3L035075
BDB035075
|
BDBM707090
Cn1cccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c1=O
|
C22H17FN6O2 416.416000 |
AMHPTWFBCSOPAZ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707090; PubChem:CID155676965
|
Local ready
Direct docking supported
|
|
E3L035076
BDB035076
|
US20240398811, Example 114
Cn1nc(C(=O)O)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C21H16FN7O3 433.403000 |
AFEKNNXNWROLRP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707091; PubChem:CID155676964
|
Local ready
Direct docking supported
|
|
E3L035077
BDB035077
|
US11091495, Example 158
COCCOc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
|
C24H21FN6O3 460.469000 |
QVPNALZXLPFBHR-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707092; PubChem:CID156050997
|
Local ready
Direct docking supported
|
|
E3L035078
BDB035078
|
US11091495, Example 161
COCCOc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1
|
C25H22FN5O3 459.481000 |
MZXOMPJHIVKHRJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707095; PubChem:CID156050906
|
Local ready
Direct docking supported
|
|
E3L035079
BDB035079
|
US11091495, Example 164
CCOP(=O)(OCC)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1
|
C26H25FN5O4P 521.489000 |
ULCNMWAWQKJSNY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707098; PubChem:CID156050948
|
Local ready
Direct docking supported
|
|
E3L035080
BDB035080
|
US20240398811, Example 165
[2H]C([2H])(Nc1ncc(-c2ccc(CN(C)C)cc2)c2nc(C#N)cn12)c1c(F)ccc2c1CCO2
|
C25H23FN6O 444.510204 |
JJCZYCVSGAQWBL-KLTYLHELSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707099; PubChem:CID155788168
|
Local ready
Direct docking supported
|