| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012121
BDB012121
|
BDBM259367
CCC(c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N(C)C)CC1
|
C25H37N3O2S 443.657000 |
IDUHGUNBWPHVAI-ORXZLVCASA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM259367
|
Local ready
Direct docking supported
|
|
E3L012122
BDB012122
|
BDBM259369
CCC(c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@@H](N(C)C)CC1
|
C25H37N3O2S 443.657000 |
IDUHGUNBWPHVAI-YOFSQIOKSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM259369
|
Local ready
Direct docking supported
|
|
E3L012123
BDB012123
|
BDBM259371
CCC(=C1CCNCC1)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
|
C22H29N3O2S 399.560000 |
OBWHFTGGXGNDQX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259371; PubChem:CID86763818
|
Local ready
Direct docking supported
|
|
E3L012124
BDB012124
|
BDBM259372
C=C(c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCNCC1
|
C21H27N3O2S 385.533000 |
YOHRBCVKYCQQJA-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259372; PubChem:CID86763819
|
Local ready
Direct docking supported
|
|
E3L012125
BDB012125
|
BDBM259373
CCN(c1sc(Br)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N(C)C)CC1
|
C24H35BrN4O2S 523.541000 |
DULCDCQEAIHKPM-IYARVYRRSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM259373
|
Local ready
Direct docking supported
|
|
E3L012126
BDB012126
|
BDBM259374
CCN(c1sc(C#N)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N(C)C)CC1
|
C25H35N5O2S 469.655000 |
XXQHACAXRPGDPN-WGSAOQKQSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM259374
|
Local ready
Direct docking supported
|
|
E3L012127
BDB012127
|
BDBM259375
CCN(CC)c1sc(Br)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
|
C18H24BrN3O2S 426.380000 |
FOOXUZRFPGZBNI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259375; PubChem:CID86763931
|
Local ready
Direct docking supported
|
|
E3L012128
BDB012128
|
BDBM259376
CCN(c1sc(Cl)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C21H28ClN3O3S 437.993000 |
VPWRXOUDVYAELQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259376; PubChem:CID86763932
|
Local ready
Direct docking supported
|
|
E3L012129
BDB012129
|
BDBM259377
CCN(c1sc(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C22H31N3O3S 417.575000 |
XPVCBYVRTZJYLK-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259377; PubChem:CID86763933
|
Local ready
Direct docking supported
|
|
E3L012130
BDB012130
|
BDBM259378
CCN(c1sc(C#N)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C22H28N4O3S 428.558000 |
FRTKPKWRJMIGMN-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259378; PubChem:CID86763934
|
Local ready
Direct docking supported
|
|
E3L012131
BDB012131
|
BDBM259379
CCN(c1sc(N2CCN(C)CC2)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C26H39N5O3S 501.697000 |
DWNBXLZQSMCDBO-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259379; PubChem:CID86764036
|
Local ready
Direct docking supported
|
|
E3L012132
BDB012132
|
BDBM259380
CCN(c1sc(C2CCN(C(=O)OC(C)(C)C)C2)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C30H44N4O5S 572.772000 |
AHMAQXSPEKRSCD-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM259380
|
Local ready
Direct docking supported
|
|
E3L012133
BDB012133
|
BDBM259381
CCN(c1sc(C2CCNC2)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C25H36N4O3S 472.655000 |
SMVSONNNCOXRPA-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259381; PubChem:CID86764038
|
Local ready
Direct docking supported
|
|
E3L012134
BDB012134
|
BDBM259382
CCN(c1sc(C2CCN(C(=O)OC(C)(C)C)CC2)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C31H46N4O5S 586.799000 |
QZNVCDCOFCNGGK-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259382; PubChem:CID86764039
|
Local ready
Direct docking supported
|
|
E3L012135
BDB012135
|
BDBM259383
CCN(c1sc(C2CCNCC2)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C26H38N4O3S 486.682000 |
GNUHGXHQTHGOSZ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259383; PubChem:CID86764040
|
Local ready
Direct docking supported
|
|
E3L012136
BDB012136
|
BDBM259384
CCN(c1sc(C2=CCN(C)CC2)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C27H38N4O3S 498.693000 |
FKYAPDCGLJNLJY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259384; PubChem:CID86764147
|
Local ready
Direct docking supported
|
|
E3L012137
BDB012137
|
BDBM259385
CCN(c1sc(C2CCN(S(C)(=O)=O)C2)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C26H38N4O5S2 550.747000 |
HYFUXDXOXFKDQJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM259385
|
Local ready
Direct docking supported
|
|
E3L012138
BDB012138
|
BDBM259386
CCN(c1sc(C2CCN(S(C)(=O)=O)CC2)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C27H40N4O5S2 564.774000 |
OUBHHMDPLKVORR-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259386; PubChem:CID86764149
|
Local ready
Direct docking supported
|
|
E3L012139
BDB012139
|
BDBM259387
CCN(C)[C@H]1CC[C@H](N(CC)c2scc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1
|
C25H38N4O2S 458.672000 |
FBXFKRLTSXFVRZ-MXVIHJGJSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM259387
|
Local ready
Direct docking supported
|
|
E3L012140
BDB012140
|
BDBM259388
CCOC(=O)N(CC)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
|
C19H25N3O4S 391.493000 |
VKIJWCDJJOLWKH-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259388; PubChem:CID86764151
|
Local ready
Direct docking supported
|