| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060361
BDB060361
|
BDBM50549304
CC(C)(C)C1NCCc2cc(-c3cnn4c(C(N)=O)cc(Cl)c4c3)sc21
|
C19H21ClN4OS 388.924000 |
RTEIHWPKPABPJZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549304; PubChem:CID162645119
|
Local ready
Direct docking supported
|
|
E3L060362
BDB060362
|
BDBM50549305
CN1CCc2sc(-c3ccc4c(Cl)cc(C(N)=O)n4n3)cc2C1
|
C16H15ClN4OS 346.843000 |
HBRTYDFEGSWVMX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549305; PubChem:CID162657370
|
Local ready
Direct docking supported
|
|
E3L060363
BDB060363
|
BDBM50549306
CN1CCc2cc(-c3ccc4c(Cl)cc(C(N)=O)n4n3)sc2C1
|
C16H15ClN4OS 346.843000 |
FCRFEQJWMHAIBJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549306; PubChem:CID162647229
|
Local ready
Direct docking supported
|
|
E3L060364
BDB060364
|
BDBM50549327
C[C@H]1COC[C@H](C)N1c1c(NC(=O)Nc2ccnc(C(F)(F)F)c2)cnc2cc(Cl)nn12
|
C19H19ClF3N7O2 469.855000 |
BFPCFGGFGQMJQG-QWRGUYRKSA-N | Q13489 | Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM50549327; PubChem:CID146680905
|
Local ready
Direct docking supported
|
|
E3L060365
BDB060365
|
BDBM50549403
CC12CCCN1Cc1[nH]c3cc(F)cc4c3c1C2=NNC4=O
|
C16H15FN4O 298.321000 |
NQRAYRDWMXKNOG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549403; PubChem:CID162650480
|
Local ready
Direct docking supported
|
|
E3L060366
BDB060366
|
BDBM50549404
O=C1NN=C2CN(C(=O)[C@@H]3CCCN3)Cc3[nH]c4cc(F)cc1c4c32
|
C17H16FN5O2 341.346000 |
VGJWFKZVPZAJAX-JTQLQIEISA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549404; PubChem:CID162649500
|
Local ready
Direct docking supported
|
|
E3L060367
BDB060367
|
BDBM50549405
NC1(C(=O)N2CC3=NNC(=O)c4cc(F)cc5[nH]c(c3c45)C2)CC1
|
C16H14FN5O2 327.319000 |
YQQZSZUQOWRTCC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549405; PubChem:CID162650534
|
Local ready
Direct docking supported
|
|
E3L060368
BDB060368
|
BDBM50549406
O=C1NN=C2CN(S(=O)(=O)C3CC3)Cc3[nH]c4cc(F)cc1c4c32
|
C15H13FN4O3S 348.359000 |
JJIUFASTARPKEE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549406; PubChem:CID162651650
|
Local ready
Direct docking supported
|
|
E3L060369
BDB060369
|
BDBM50549407
CC1(C)C(C(=O)N2CC3=NNC(=O)c4cc(F)cc5[nH]c(c3c45)C2)C1(C)C
|
C20H21FN4O2 368.412000 |
AKWDMQGDJNHZOY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549407; PubChem:CID162668861
|
Local ready
Direct docking supported
|
|
E3L060370
BDB060370
|
BDBM50549408
O=C1NN=C2CN(C(=O)C3(O)CC3)Cc3[nH]c4cc(F)cc1c4c32
|
C16H13FN4O3 328.303000 |
VQRDHQOGHBJDGQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549408; PubChem:CID162666366
|
Local ready
Direct docking supported
|
|
E3L060371
BDB060371
|
BDBM50549409
O=C1NN=C2CN(C(=O)C3(c4ccccc4)CC3)Cc3[nH]c4cc(F)cc1c4c32
|
C22H17FN4O2 388.402000 |
SSHFBIALDVUJEM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549409; PubChem:CID162653609
|
Local ready
Direct docking supported
|
|
E3L060372
BDB060372
|
BDBM50549410
CC1(C(=O)N2CC3=NNC(=O)c4cc(F)cc5[nH]c(c3c45)C2)CC1
|
C17H15FN4O2 326.331000 |
PWWCWMWEAAPENF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549410; PubChem:CID162666779
|
Local ready
Direct docking supported
|
|
E3L060373
BDB060373
|
BDBM50549411
CNCCn1c2c3c4c(cccc41)C(=O)NN=C3CC(C)(C)C2
|
C18H22N4O 310.401000 |
GQUWQXVESJLVLB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549411; PubChem:CID162643000
|
Local ready
Direct docking supported
|
|
E3L060374
BDB060374
|
BDBM50549412
CC1(C)CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1O
|
C15H14FN3O2 287.294000 |
TVEKOZNCZJHWEH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549412; PubChem:CID136242911
|
Local ready
Direct docking supported
|
|
E3L060375
BDB060375
|
BDBM50549413
CC1(C)C(=O)C2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1=O
|
C15H10FN3O3 299.261000 |
VOHZUJVLBHHRQQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50549413
|
Local ready
Direct docking supported
|
|
E3L060376
BDB060376
|
BDBM50549619
CC(NC(=O)Nc1ccc2nnsc2c1)c1cccc(F)c1
|
C15H13FN4OS 316.361000 |
QHOWJTHABRGEON-UHFFFAOYSA-N | Q9NRL2 | Bromodomain adjacent to zinc finger domain protein 1A |
BindingDB, PubChem
BindingDB:BDBM50549619; PubChem:CID162664281
|
Local ready
Direct docking supported
|
|
E3L060377
BDB060377
|
BDBM50549620
CN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2nnsc2c1
|
C15H13N5O3S 343.368000 |
WZHKRRODMQVURC-UHFFFAOYSA-N | Q9NRL2 | Bromodomain adjacent to zinc finger domain protein 1A |
BindingDB, PubChem
BindingDB:BDBM50549620; PubChem:CID162649050
|
Local ready
Direct docking supported
|
|
E3L060378
BDB060378
|
1-(1,2,3-Benzothiadiazol-6-yl)-3-quinazolin-7-ylurea
O=C(Nc1ccc2cncnc2c1)Nc1ccc2nnsc2c1
|
C15H10N6OS 322.353000 |
IELOOJVLRWOXGP-UHFFFAOYSA-N | Q9NRL2 | Bromodomain adjacent to zinc finger domain protein 1A |
BindingDB, PubChem
BindingDB:BDBM50549621; PubChem:CID162657274
|
Local ready
Direct docking supported
|
|
E3L060379
BDB060379
|
BDBM50549622
NC(C(=O)Nc1ccc2nnsc2c1)c1ccccc1
|
C14H12N4OS 284.344000 |
AXHFGOHDPLZGKH-UHFFFAOYSA-N | Q9NRL2 | Bromodomain adjacent to zinc finger domain protein 1A |
BindingDB, PubChem
BindingDB:BDBM50549622; PubChem:CID162646119
|
Local ready
Direct docking supported
|
|
E3L060380
BDB060380
|
1-(3-Nitrophenyl)-3-(3-oxo-1,2-dihydroinden-5-yl)urea
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)C(=O)CC2
|
C16H13N3O4 311.297000 |
MANBAZVVWORDIN-UHFFFAOYSA-N | Q9NRL2 | Bromodomain adjacent to zinc finger domain protein 1A |
BindingDB, PubChem
BindingDB:BDBM50549623; PubChem:CID162647395
|
Local ready
Direct docking supported
|