| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L035141
BDB035141
|
BDBM707218
CCC1CC2N=CC(CN3CCN(C4C=CC(NC(=O)[C@@H]5C[C@H]5F)=NC4)CC3)=CC2NC1=O
|
C24H33FN6O2 456.566000 |
KKGPBCZYXISFPB-JJXKEYSCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707218; PubChem:CID172991709
|
Local ready
Direct docking supported
|
|
E3L035142
BDB035142
|
BDBM707219
CCC1CC2N=CC(CN3CCN(C4C=CC(NC(=O)[C@H]5CCN(C)C5)=NC4)CC3)=CC2NC1=O
|
C26H39N7O2 481.645000 |
ASGXKILKCIZHAI-ZCGPYFMNSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707219; PubChem:CID172991710
|
Local ready
Direct docking supported
|
|
E3L035143
BDB035143
|
BDBM707220
CCC1=CC2N=CC(CN3CCN(c4ccc(NC(=O)OC5CC5)nc4)CC3)CC2NC1=O
|
C24H32N6O3 452.559000 |
PWWAYUBHWQTUDO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707220; PubChem:CID172991711
|
Local ready
Direct docking supported
|
|
E3L035144
BDB035144
|
BDBM707221
CCC1CC2N=CC(CN3CCN(C4C=CC(C(=O)NC5CC6(CCC6)C5)=NC4)CC3)=CC2NC1=O
|
C28H40N6O2 492.668000 |
YKECUXUNJXXETH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707221; PubChem:CID172991712
|
Local ready
Direct docking supported
|
|
E3L035145
BDB035145
|
BDBM707222
CCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC56CC(C5)C6)nc4)CC3)CC2NC1=O
|
C26H34N6O2 462.598000 |
PIFARTBLYHOZHR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707222; PubChem:CID172991713
|
Local ready
Direct docking supported
|
|
E3L035146
BDB035146
|
BDBM707223
CCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NCC5CC5)nc4)CC3)CC2NC1=O
|
C25H34N6O2 450.587000 |
CSXLAAVTIDOUDO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707223; PubChem:CID172991714
|
Local ready
Direct docking supported
|
|
E3L035147
BDB035147
|
BDBM707224
CCC1CC2N=CC(CN3CCN(C4C=CC(C(=O)N[C@H]5C[C@H]5F)=NC4)CC3)=CC2NC1=O
|
C24H33FN6O2 456.566000 |
KTBPNDIFJAIALD-QEPIYBIGSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707224; PubChem:CID172991715
|
Local ready
Direct docking supported
|
|
E3L035148
BDB035148
|
BDBM707225
CCC1Cc2ncc(CN3CCN(C4C=NC(c5nnc(C)[nH]5)=CC4)CC3)cc2NC1=O
|
C23H30N8O 434.548000 |
MKDFARKKEYERTH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707225; PubChem:CID172991716
|
Local ready
Direct docking supported
|
|
E3L035149
BDB035149
|
BDBM707226
CCC1Cc2ncc(CN3CCN(C4CN5C=C(C(F)(F)F)NC5C=N4)CC3)cc2NC1=O
|
C22H28F3N7O 463.508000 |
BAEYOAPATISWSQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707226; PubChem:CID172991717
|
Local ready
Direct docking supported
|
|
E3L035150
BDB035150
|
BDBM707227
CCC1=CN2CC(N3CCN(Cc4cnc5c(c4)NC(=O)C(CC)C5)CC3)N=CC2N1
|
C23H33N7O 423.565000 |
IMRVKURECLCRAC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707227; PubChem:CID172991718
|
Local ready
Direct docking supported
|
|
E3L035151
BDB035151
|
BDBM707228
CCC1=Cc2ncc(CN3CCN(c4cn5cc(C(F)F)nc5cn4)CC3)cc2CC1=O
|
C23H24F2N6O 438.482000 |
AFZLLXUFLZGRGB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707228; PubChem:CID172991719
|
Local ready
Direct docking supported
|
|
E3L035152
BDB035152
|
BDBM707229
CCC1CC2N=CC(CN3CCN(C4C=CC(C(=O)NC5CN(c6ccccc6)C5)=NC4)CC3)=CC2NC1=O
|
C30H39N7O2 529.689000 |
APXWJMRWWOYXCU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707229; PubChem:CID172991720
|
Local ready
Direct docking supported
|
|
E3L035153
BDB035153
|
BDBM707230
CCC1CC2N=CC(CN3CCN(C4C=CC(C(=O)Nc5ccn(C)n5)=NC4)CC3)=CC2NC1=O
|
C25H34N8O2 478.601000 |
MCHFSANMIHSFOP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707230; PubChem:CID172991721
|
Local ready
Direct docking supported
|
|
E3L035154
BDB035154
|
BDBM707231
CCC1CC2N=CC(CN3CCN(C4C=CC(NC(=O)[C@@H]5CC5(F)F)=NC4)CC3)=CC2NC1=O
|
C24H32F2N6O2 474.556000 |
IVIIBFXOIZKWGP-ALJDKOKLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM707231
|
Local ready
Direct docking supported
|
|
E3L035155
BDB035155
|
BDBM707232
CCC1CC2N=CC(CN3CCN(C4C=CC(NC(=O)[C@H]5CC5(F)F)=NC4)CC3)=CC2NC1=O
|
C24H32F2N6O2 474.556000 |
IVIIBFXOIZKWGP-YFHPXGLKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM707232
|
Local ready
Direct docking supported
|
|
E3L035156
BDB035156
|
US11091495, Example 228
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)n(C)n1
|
C21H18FN7O 403.421000 |
WUFADHRATSOXBZ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707233; PubChem:CID152324986
|
Local ready
Direct docking supported
|
|
E3L035157
BDB035157
|
US11091495, Example 184
Cc1cc(S(=O)(=O)C(F)(F)F)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C24H17F4N5O3S 531.491000 |
YAGRWOSMKWMLKY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707235; PubChem:CID156051050
|
Local ready
Direct docking supported
|
|
E3L035158
BDB035158
|
US11091495, Example 111
Cn1nc(C(F)(F)F)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C21H15F4N7O 457.391000 |
KKQYWOJEQUGBDY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707236; PubChem:CID156050908
|
Local ready
Direct docking supported
|
|
E3L035159
BDB035159
|
US20240409538, Example 4
COc1ncnc(C2CC2)c1-c1nc2c(Cc3ccc(-c4nc(C(F)(F)F)cn4C(C)C)cc3)cccn2n1
|
C28H26F3N7O 533.558000 |
CINCXWDQAYFRSP-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM707411; PubChem:CID171782526
|
Local ready
Direct docking supported
|
|
E3L035160
BDB035160
|
US20240409538, Example 5
COc1ncnc(C2CC2)c1-c1nc2c(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)cccn2n1
|
C26H22F3N7O 505.504000 |
UZBZXDJYDCJZTL-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM707412; PubChem:CID171782523
|
Local ready
Direct docking supported
|