| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012141
BDB012141
|
BDBM259389
CCN(c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCN(C(C)C)CC1
|
C24H36N4O2S 444.645000 |
PUAMXEYBUKFNAB-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259389; PubChem:CID86764152
|
Local ready
Direct docking supported
|
|
E3L012142
BDB012142
|
BDBM259390
CCN(c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCNCC1F
|
C21H29FN4O2S 420.554000 |
FZYCWJYPPHUYEK-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259390; PubChem:CID86764255
|
Local ready
Direct docking supported
|
|
E3L012143
BDB012143
|
BDBM259391
Cc1cc(C)c(CNC(=O)c2csc(N3CCCC3C3CCNCC3)c2C)c(=O)[nH]1
|
C23H32N4O2S 428.602000 |
SPEWFOBJMMAASC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259391; PubChem:CID86764256
|
Local ready
Direct docking supported
|
|
E3L012144
BDB012144
|
BDBM259392
Cc1cc(C)c(CNC(=O)c2csc(N3CCCCC3C3CCNCC3)c2C)c(=O)[nH]1
|
C24H34N4O2S 442.629000 |
QTGCEAWJQNDFCV-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259392; PubChem:CID86764257
|
Local ready
Direct docking supported
|
|
E3L012145
BDB012145
|
BDBM259393
Cc1cc(C)c(CNC(=O)c2csc(-c3cccc4c3CCNC4)c2C)c(=O)[nH]1
|
C23H25N3O2S 407.539000 |
GZHOTTJMYDUDKU-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259393; PubChem:CID86764258
|
Local ready
Direct docking supported
|
|
E3L012146
BDB012146
|
BDBM259394
C/C=C(\CCN1CCOCC1)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
|
C23H31N3O3S 429.586000 |
RQHHTQQZIPZYKU-BLLMUTORSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259394; PubChem:CID177668296
|
Local ready
Direct docking supported
|
|
E3L012147
BDB012147
|
BDBM259395
C/C=C(\CCCN1CCN(C)CC1)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
|
C25H36N4O2S 456.656000 |
XOWOAJJLCBDUKN-CGOBSMCZSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259395; PubChem:CID117679587
|
Local ready
Direct docking supported
|
|
E3L012148
BDB012148
|
BDBM259396
CCC(CCCN1CCN(C)CC1)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
|
C25H38N4O2S 458.672000 |
WITFAJZVQRHUMQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259396; PubChem:CID86764371
|
Local ready
Direct docking supported
|
|
E3L012149
BDB012149
|
BDBM259397
C/C=C(\CCCN1CCC(N(C)C)CC1)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
|
C27H40N4O2S 484.710000 |
LZBICHWHSABGJQ-QPSGOUHRSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259397; PubChem:CID117679799
|
Local ready
Direct docking supported
|
|
E3L012150
BDB012150
|
BDBM259398
CCN(c1sc(-c2ccoc2)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C25H31N3O4S 469.607000 |
DPMPQZDRSNAUCN-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259398; PubChem:CID86764373
|
Local ready
Direct docking supported
|
|
E3L012151
BDB012151
|
BDBM259399
CCN(c1sc(-c2ccco2)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C25H31N3O4S 469.607000 |
FPNCHTAWQWSLNX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259399; PubChem:CID86764374
|
Local ready
Direct docking supported
|
|
E3L012152
BDB012152
|
BDBM259400
CCN(c1sc(-c2ccoc2)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N(C)C)CC1
|
C28H38N4O3S 510.704000 |
ANOOOFTUEHAIIC-HZCBDIJESA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM259400
|
Local ready
Direct docking supported
|
|
E3L012153
BDB012153
|
BDBM259401
CCN(c1sc(-c2cnn(C)c2)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C25H33N5O3S 483.638000 |
DXBZHMRTDJUMEJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259401; PubChem:CID86764477
|
Local ready
Direct docking supported
|
|
E3L012154
BDB012154
|
BDBM259491
O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](c2nnc(-c3ccccc3)o2)CC1
|
C25H25N5O3 443.507000 |
HGMPUSYAOCCRQP-IYARVYRRSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259491
|
Local ready
Direct docking supported
|
|
E3L012155
BDB012155
|
BDBM259492
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2nnc(-c3cccc(Cl)c3)o2)CC1
|
C25H24ClN5O3 477.952000 |
WQPAUZHGHHSUOT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259492; PubChem:CID136253146
|
Local ready
Direct docking supported
|
|
E3L012156
BDB012156
|
BDBM259493
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2nnc(-c3ccc(Cl)cc3)o2)CC1
|
C25H24ClN5O3 477.952000 |
BGJRUZLMBXELSD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259493; PubChem:CID136253147
|
Local ready
Direct docking supported
|
|
E3L012157
BDB012157
|
BDBM259494
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2nnc(-c3cccc(F)c3)o2)CC1
|
C25H24FN5O3 461.497000 |
IHBILSNANZVSHM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259494; PubChem:CID136628963
|
Local ready
Direct docking supported
|
|
E3L012158
BDB012158
|
BDBM259495
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1
|
C25H24FN5O3 461.497000 |
BVBKPRYPLQAWKE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259495; PubChem:CID136628923
|
Local ready
Direct docking supported
|
|
E3L012159
BDB012159
|
BDBM259496
Cc1ccc2[nH]c(=O)n(C3CCN(C(=O)CCCc4nc5ccccc5c(=O)[nH]4)CC3)c2c1
|
C25H27N5O3 445.523000 |
AXLLIVDKOSPBTM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259496; PubChem:CID136628933
|
Local ready
Direct docking supported
|
|
E3L012160
BDB012160
|
BDBM259497
COc1ccc2c(c1)[nH]c(=O)n2C1CCN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1
|
C25H27N5O4 461.522000 |
SHCKGNRFHFRCLF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259497; PubChem:CID136628953
|
Local ready
Direct docking supported
|