| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L013081
BDB013081
|
US9580437, Example 79
CNC(=O)c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C21H19N7O2 401.430000 |
CDLYHLQXPRDLDO-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291764; PubChem:CID121432860
|
Local ready
Direct docking supported
|
|
E3L013082
BDB013082
|
US9580437, Example 80
O=C(c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1)N1CCCC1
|
C24H23N7O2 441.495000 |
OWELJWFIXMPMFU-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291765; PubChem:CID121432961
|
Local ready
Direct docking supported
|
|
E3L013083
BDB013083
|
US9580437, Example 81
c1cc(CNc2ncc(-c3ccc(N4CCSCC4)nc3)c3nncn23)c2c(c1)OCC2
|
C23H23N7OS 445.552000 |
LDJKHSHQJFJYBA-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291766; PubChem:CID121432842
|
Local ready
Direct docking supported
|
|
E3L013084
BDB013084
|
US9580437, Example 82
Cc1nn(C(C)C)cc1-c1cnc(NCc2cccc3c2CCO3)n2cnnc12
|
C21H23N7O 389.463000 |
NJDXLHKURDJQHI-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291767; PubChem:CID121432880
|
Local ready
Direct docking supported
|
|
E3L013085
BDB013085
|
US9580437, Example 83
COCc1ncc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cc1C
|
C22H22N6O2 402.458000 |
DKVUMSCTMAHGAJ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291768; PubChem:CID121432932
|
Local ready
Direct docking supported
|
|
E3L013086
BDB013086
|
US9580437, Example 84
CC(O)c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C21H20N6O2 388.431000 |
AVQNQRHKXOPEQK-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291769; PubChem:CID121432838
|
Local ready
Direct docking supported
|
|
E3L013087
BDB013087
|
US9580437, Example 85
Fc1ccncc1-c1cnc(NCc2cccc3c2CCO3)n2cnnc12
|
C19H15FN6O 362.368000 |
XMNFQRNWCHJRPC-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291770; PubChem:CID121432943
|
Local ready
Direct docking supported
|
|
E3L013088
BDB013088
|
US9580437, Example 86
COCCc1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C22H22N6O2 402.458000 |
GVZXYFCBILGQCQ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291771; PubChem:CID121432840
|
Local ready
Direct docking supported
|
|
E3L013089
BDB013089
|
US9580437, Example 87
O=C1CCCN1c1cncc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)c1
|
C23H21N7O2 427.468000 |
QHQAGMSQHMYPIY-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291772; PubChem:CID121432947
|
Local ready
Direct docking supported
|
|
E3L013090
BDB013090
|
US9580437, Example 88
CN(C)c1ncc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C20H20N8O 388.435000 |
JQTMERFVMVOYDH-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291773; PubChem:CID121432862
|
Local ready
Direct docking supported
|
|
E3L013091
BDB013091
|
US9580437, Example 89
CN(C)CCc1cccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)c1
|
C24H26N6O 414.513000 |
RKFGJEQBUNXCBP-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291774; PubChem:CID121432953
|
Local ready
Direct docking supported
|
|
E3L013092
BDB013092
|
US9580437, Example 90
CC1(C)COC(c2cncc(-c3cnc(NCc4cccc5c4CCO5)n4cnnc34)c2)=N1
|
C24H23N7O2 441.495000 |
GSPMBCOSONHTOL-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291775; PubChem:CID121433062
|
Local ready
Direct docking supported
|
|
E3L013093
BDB013093
|
US9580437, Example 91
Fc1ccc2c(c1CNc1ncc(-c3ccc(N4CCSCC4)nc3)c3nncn13)CCO2
|
C23H22FN7OS 463.542000 |
WLTNJUUYILGGNP-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291776; PubChem:CID121432855
|
Local ready
Direct docking supported
|
|
E3L013094
BDB013094
|
US9580437, Example 92
Fc1ccc2c(c1CNc1ncc(-c3ccc(N4CCOCC4)nc3)c3nncn13)CCO2
|
C23H22FN7O2 447.474000 |
UNMXGHDUUUXBIU-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291777; PubChem:CID121432949
|
Local ready
Direct docking supported
|
|
E3L013095
BDB013095
|
US9580437, Example 93
N#Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)cn1
|
C20H14FN7O 387.378000 |
WMZCIJCAOGMXJT-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291778; PubChem:CID121432859
|
Local ready
Direct docking supported
|
|
E3L013096
BDB013096
|
US9580437, Example 94
Fc1ccccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C20H15F2N5O 379.370000 |
BKRIWBCIRWPTGB-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291779; PubChem:CID121432864
|
Local ready
Direct docking supported
|
|
E3L013097
BDB013097
|
US9580437, Example 95
CN(C)C(=O)c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C22H21N7O2 415.457000 |
WWHYMGYUZYXMOK-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291780; PubChem:CID121432944
|
Local ready
Direct docking supported
|
|
E3L013098
BDB013098
|
US9580437, Example 96
CC1CCCN1c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C24H25N7O 427.512000 |
HORZWCBJHIPTFF-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291781; PubChem:CID121432875
|
Local ready
Direct docking supported
|
|
E3L013099
BDB013099
|
US9580437, Example 97
COC(=O)N1CCN(c2ccc(-c3cnc(NCc4cccc5c4CCO5)n4cnnc34)cn2)CC1
|
C25H26N8O3 486.536000 |
BVWYYZMMLLMIQW-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291782; PubChem:CID121432876
|
Local ready
Direct docking supported
|
|
E3L013100
BDB013100
|
US9580437, Example 98
CS(=O)(=O)CCCOc1cncc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)c1
|
C23H24N6O4S 480.550000 |
VOOPZQBLDZVBAT-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291783; PubChem:CID121432856
|
Local ready
Direct docking supported
|