| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L036221
BDB036221
|
US20250082630, Example 50
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C(F)(F)F)c(=O)[nH]c4c3F)CC2)cn1
|
C21H20F4N6O2 464.423000 |
DWAATVADJCSYHY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726545; PubChem:CID162524602
|
Local ready
Direct docking supported
|
|
E3L036222
BDB036222
|
US20250082630, Example 51
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C(C)C)c(=O)[nH]c4c3F)CC2)c(F)n1
|
C23H26F2N6O2 456.497000 |
MGZRBFSTQZBIRE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726546; PubChem:CID162524569
|
Local ready
Direct docking supported
|
|
E3L036223
BDB036223
|
US20250082630, Example 52
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C(C)C)c(=O)[nH]c4c3F)CC2)c(C)n1
|
C24H29FN6O2 452.534000 |
SUEUDWLKAKTAKH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726547; PubChem:CID162524537
|
Local ready
Direct docking supported
|
|
E3L036224
BDB036224
|
US20250082630, Example 53
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C(C)C)c(=O)[nH]c4c3F)CC2)cn1
|
C23H27FN6O2 438.507000 |
ITKLUVDKVKQKOD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726548; PubChem:CID162524435
|
Local ready
Direct docking supported
|
|
E3L036225
BDB036225
|
US20250082630, Example 54
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C5CC5)c(=O)[nH]c4c3F)CC2)c(F)n1
|
C23H24F2N6O2 454.481000 |
FYWGATBYUINRQB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726549; PubChem:CID162524516
|
Local ready
Direct docking supported
|
|
E3L036226
BDB036226
|
US20250082630, Example 55
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C5CC5)c(=O)[nH]c4c3F)CC2)c(C)n1
|
C24H27FN6O2 450.518000 |
HCXPOCOMUTVPPA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726550; PubChem:CID162524439
|
Local ready
Direct docking supported
|
|
E3L036227
BDB036227
|
US20250082630, Example 56
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C5CC5)c(=O)[nH]c4c3F)CC2)cn1
|
C23H25FN6O2 436.491000 |
ZRCBKRIJDLJFLT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726551; PubChem:CID162524436
|
Local ready
Direct docking supported
|
|
E3L036228
BDB036228
|
US20250082630, Example 57
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(OC)c(=O)[nH]c4c3C)CC2)c(C)n1
|
C23H28N6O3 436.516000 |
RSPGYQYJMSJIAH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726552; PubChem:CID162524560
|
Local ready
Direct docking supported
|
|
E3L036229
BDB036229
|
US20250082630, Example 58
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(OC)c(=O)[nH]c4c3C)CC2)c(F)n1
|
C22H25FN6O3 440.479000 |
ZLTNQLOPLKNGPU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726553; PubChem:CID162524423
|
Local ready
Direct docking supported
|
|
E3L036230
BDB036230
|
US20250082630, Example 59
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(OC)c(=O)[nH]c4c3C)CC2)c(C(F)F)n1
|
C23H26F2N6O3 472.496000 |
OQIQIFDEZCRZTO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726554; PubChem:CID162524442
|
Local ready
Direct docking supported
|
|
E3L036231
BDB036231
|
US20250082630, Example 60
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C)c(=O)[nH]c4c3C)CC2)c(C(F)F)n1
|
C23H26F2N6O2 456.497000 |
NQZLWMVGVSQXCU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726555; PubChem:CID162524446
|
Local ready
Direct docking supported
|
|
E3L036232
BDB036232
|
US12252493, Example 1
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CO)nc23)n(C)n1
|
C21H21FN6O2 408.437000 |
MVVTWFGQXKRKAK-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727043; PubChem:CID155369194
|
Local ready
Direct docking supported
|
|
E3L036233
BDB036233
|
US12252493, Example 2
Cc1cc(S(C)(=O)=O)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CO)nc12
|
C24H23FN4O4S 482.537000 |
DULHIKBIAKGJGD-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727044; PubChem:CID155369227
|
Local ready
Direct docking supported
|
|
E3L036234
BDB036234
|
US12252493, Example 3
Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CO)nc12
|
C22H20FN5O2 405.433000 |
GPGNLADXCXTCLS-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727045; PubChem:CID155382906
|
Local ready
Direct docking supported
|
|
E3L036235
BDB036235
|
US12252493, Example 4
OCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C4CC4)nc3)c2n1
|
C24H22FN5O2 431.471000 |
RCVIGXAPGWXYDY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727051; PubChem:CID155382905
|
Local ready
Direct docking supported
|
|
E3L036236
BDB036236
|
US12252493, Example 5
COc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CO)nc23)c(C)n1
|
C23H22FN5O3 435.459000 |
SJKPDBHMQXAFBX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727052; PubChem:CID155383079
|
Local ready
Direct docking supported
|
|
E3L036237
BDB036237
|
US12252493, Example 6
Cn1nccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CO)nc12
|
C20H19FN6O2 394.410000 |
LLXHFIUGYZGCCC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727053; PubChem:CID155383080
|
Local ready
Direct docking supported
|
|
E3L036238
BDB036238
|
US12252493, Example 7
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(C)O)nc23)n(C)n1
|
C22H23FN6O2 422.464000 |
DZDBSOHOXMYOPS-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727055; PubChem:CID155369148
|
Local ready
Direct docking supported
|
|
E3L036239
BDB036239
|
US12252493, Example 8
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(O)c4ccccc4)nc23)n(C)n1
|
C27H25FN6O2 484.535000 |
FRMGONKFGHGEDM-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727056; PubChem:CID155369137
|
Local ready
Direct docking supported
|
|
E3L036240
BDB036240
|
US12252493, Example 9
COCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1
|
C22H23FN6O2 422.464000 |
ZTWAOTIKFADHMT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727057; PubChem:CID155369171
|
Local ready
Direct docking supported
|