| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046641
BDB046641
|
BDBM50145153
Cn1ncnc1[C@@H]1c2n[nH]c(=O)c3cccc(c23)N[C@H]1c1ccc(F)cc1
|
C19H15FN6O 362.368000 |
VGCYLQAHCSEGLE-HOTGVXAUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145153; PubChem:CID135924335
|
Local ready
Direct docking supported
|
|
E3L046642
BDB046642
|
BDBM50145154
O=c1[nH]nc2c3c(cccc13)N[C@H](c1ccc(CN3CCC3)cc1)[C@H]2c1ccc(F)cc1
|
C26H23FN4O 426.495000 |
UMTZOWPWZLHANK-ISKFKSNPSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145154; PubChem:CID136385309
|
Local ready
Direct docking supported
|
|
E3L046643
BDB046643
|
BDBM50145155
O=c1[nH]nc2c3c(cccc13)N[C@@H](c1ccc(CN3CCC3)cc1)[C@@H]2c1ccc(F)cc1
|
C26H23FN4O 426.495000 |
UMTZOWPWZLHANK-UPVQGACJSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145155; PubChem:CID136100291
|
Local ready
Direct docking supported
|
|
E3L046644
BDB046644
|
Bmn-673 8R,9S
Cn1ncnc1[C@@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@H]1c1ccc(F)cc1
|
C19H14F2N6O 380.358000 |
HWGQMRYQVZSGDQ-HOTGVXAUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145156; PubChem:CID135742498
|
Local ready
Direct docking supported
|
|
E3L046645
BDB046645
|
BDBM50145212
NC(=O)c1cccc2[nH]c(-c3cccc(CN4CCOCC4)c3)nc12
|
C19H20N4O2 336.395000 |
CMBUUWJUNUVXHT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145212; PubChem:CID44460253
|
Local ready
Direct docking supported
|
|
E3L046646
BDB046646
|
BDBM50145213
NC(=O)c1cccc2[nH]c(-c3cccc(CN(CCO)CCO)c3)nc12
|
C19H22N4O3 354.410000 |
JBMXJVZBMPLBPN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145213; PubChem:CID44460532
|
Local ready
Direct docking supported
|
|
E3L046647
BDB046647
|
BDBM50145214
CNCc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1
|
C16H16N4O 280.331000 |
VAPQDNWAJYBPKY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145214; PubChem:CID10039306
|
Local ready
Direct docking supported
|
|
E3L046648
BDB046648
|
BDBM50145215
CN1CCN(Cc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)CC1
|
C20H23N5O 349.438000 |
FIYMDYYTMPMPSL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145215; PubChem:CID44460202
|
Local ready
Direct docking supported
|
|
E3L046649
BDB046649
|
BDBM50145216
NC(=O)c1cccc2[nH]c(-c3ccc(CN(CCO)CCO)cc3)nc12
|
C19H22N4O3 354.410000 |
LVAGFXSTLGMVQX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145216; PubChem:CID44317843
|
Local ready
Direct docking supported
|
|
E3L046650
BDB046650
|
BDBM50145217
NC(=O)c1cccc2[nH]c(-c3ccc(CN4CCOCC4)cc3)nc12
|
C19H20N4O2 336.395000 |
UPZUGQSKDPPDCM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145217; PubChem:CID44317906
|
Local ready
Direct docking supported
|
|
E3L046651
BDB046651
|
BDBM50145218
NC(=O)c1cccc2[nH]c(-c3cccc(CN4CCCCC4)c3)nc12
|
C20H22N4O 334.423000 |
VDEKDAAHTBTVDG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145218; PubChem:CID44460520
|
Local ready
Direct docking supported
|
|
E3L046652
BDB046652
|
BDBM50145219
NC(=O)c1cccc2[nH]c(-c3ccc(CN4CCCCC4)cc3)nc12
|
C20H22N4O 334.423000 |
SLVCHAWPLCGGHZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145219; PubChem:CID18676135
|
Local ready
Direct docking supported
|
|
E3L046653
BDB046653
|
BDBM50145220
NC(=O)c1cccc2[nH]c(-c3cccc(CN4CCCC4)c3)nc12
|
C19H20N4O 320.396000 |
STWIULUGHIVKTP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145220; PubChem:CID18676146
|
Local ready
Direct docking supported
|
|
E3L046654
BDB046654
|
BDBM50145221
COc1ccc(CN(C)c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)cc1
|
C23H22N4O2 386.455000 |
KOHUNJYPEGQYAN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145221; PubChem:CID44460224
|
Local ready
Direct docking supported
|
|
E3L046655
BDB046655
|
BDBM50145222
CN1CCN(Cc2cccc(-c3nc4c(C(N)=O)cccc4[nH]3)c2)CC1
|
C20H23N5O 349.438000 |
JBHCTBKEANVJGQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145222; PubChem:CID44460362
|
Local ready
Direct docking supported
|
|
E3L046656
BDB046656
|
BDBM50145223
CN(C)Cc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)c1
|
C17H18N4O 294.358000 |
DZLKZOJIVMXGBJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145223; PubChem:CID18676162
|
Local ready
Direct docking supported
|
|
E3L046657
BDB046657
|
BDBM50145224
CN(C)Cc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1
|
C17H18N4O 294.358000 |
XZBZQFNYQMZQTC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145224; PubChem:CID9817600
|
Local ready
Direct docking supported
|
|
E3L046658
BDB046658
|
BDBM50145225
NC(=O)c1cccc2[nH]c(-c3ccc(CN4CCCC4)cc3)nc12
|
C19H20N4O 320.396000 |
PQUJOEPQEJMLJQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145225; PubChem:CID18676147
|
Local ready
Direct docking supported
|
|
E3L046659
BDB046659
|
BDBM50145371
O=C(NCc1ccc(O)cc1O)c1ccc2ccc(C(=O)O)c(O)c2n1
|
C18H14N2O6 354.318000 |
XCUIQBHAIMNBMZ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50145371; PubChem:CID491467
|
Local ready
Direct docking supported
|
|
E3L046660
BDB046660
|
Omipalisib
COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
|
C25H17F2N5O3S 505.506000 |
CGBJSGAELGCMKE-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50145416; PubChem:CID25167777
|
Local ready
Direct docking supported
|