| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L026321
BDB026321
|
BDBM553664
C[C@@H]1CN(c2cc(F)c(-c3cc(F)c(C(=O)N(C)C4CCCCC4)c(F)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C34H37F6N5O3 677.690000 |
VNLQJEISAIKCOO-KDURUIRLSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM553664
|
Local ready
Direct docking supported
|
|
E3L026322
BDB026322
|
BDBM553665
C[C@@H]1CN(c2cc(F)c(-c3cc(F)c(C(=O)N(C)C4CCCC4)c(F)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C33H35F6N5O3 663.663000 |
UHGONJRGWJDZJB-HDICACEKSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM553665
|
Local ready
Direct docking supported
|
|
E3L026323
BDB026323
|
BDBM553666
C[C@@H]1CN(c2cc(F)c(-c3cc(F)c(C(=O)N[C@@H]4CCOC4)c(F)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C31H31F6N5O4 651.608000 |
DCXUVEFLYACNAD-SOLBZPMBSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM553666
|
Local ready
Direct docking supported
|
|
E3L026324
BDB026324
|
BDBM553667
C[C@@H]1CN(c2cc(F)c(-c3cc(F)c(C(=O)N(C)C4COC4)c(F)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C31H31F6N5O4 651.608000 |
RRTKJZQTGZFVGF-IYBDPMFKSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM553667
|
Local ready
Direct docking supported
|
|
E3L026325
BDB026325
|
US11319287, Example 7
Cc1noc(C)c1-c1cccc2c1CCN2C(=O)[C@@H]1CCCN1C#N
|
C19H20N4O2 336.395000 |
MRVYZKBROYHVDF-KRWDZBQOSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM553796; PubChem:CID135205707
|
Local ready
Direct docking supported
|
|
E3L026326
BDB026326
|
BDBM553937
CCc1cc2cnc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O
|
C22H26N6O2 406.490000 |
KQWMSOMOYSGKJA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553937; PubChem:CID155587004
|
Local ready
Direct docking supported
|
|
E3L026327
BDB026327
|
BDBM553938
CCc1cc2cnc(CN3CCN(c4ccc(C(=O)NC)nc4F)CC3)cc2[nH]c1=O
|
C22H25FN6O2 424.480000 |
XKSQRLIEJSXRFK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553938; PubChem:CID155586926
|
Local ready
Direct docking supported
|
|
E3L026328
BDB026328
|
BDBM553939
CCc1cc2cnc(CN3CCN(c4ccc(C(=O)NC)nc4Cl)CC3)cc2[nH]c1=O
|
C22H25ClN6O2 440.935000 |
HBQCPOVYLRNWOU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553939; PubChem:CID155586931
|
Local ready
Direct docking supported
|
|
E3L026329
BDB026329
|
Saruparib
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O
|
C22H26N6O2 406.490000 |
WQAVGRAETZEADU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553940; PubChem:CID155586901
|
Local ready
Direct docking supported
|
|
E3L026330
BDB026330
|
BDBM553941
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4F)CC3)cc2[nH]c1=O
|
C22H25FN6O2 424.480000 |
LZXFKOUZJFPYDT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553941; PubChem:CID155586969
|
Local ready
Direct docking supported
|
|
E3L026331
BDB026331
|
BDBM553942
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4Cl)CC3)cc2[nH]c1=O
|
C22H25ClN6O2 440.935000 |
VXKAXDSVEXWYFC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553942; PubChem:CID155586960
|
Local ready
Direct docking supported
|
|
E3L026332
BDB026332
|
BDBM553943
CCc1cc2ncc(CN3CCN(c4ccc(C(N)=O)nc4)CC3)cc2[nH]c1=O
|
C21H24N6O2 392.463000 |
JMWJWPBEGHFNBW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553943; PubChem:CID155586979
|
Local ready
Direct docking supported
|
|
E3L026333
BDB026333
|
BDBM553944
CCc1nc(C(=O)NC)ccc1N1CCN(Cc2ccc3nc(CC)c(=O)[nH]c3c2)CC1
|
C24H30N6O2 434.544000 |
MXXCWTPFDLFEPI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553944; PubChem:CID155586986
|
Local ready
Direct docking supported
|
|
E3L026334
BDB026334
|
BDBM553945
CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C(F)(F)F)CC3)cc2[nH]c1=O
|
C23H25F3N6O2 474.487000 |
WLNYGEDDWHJYNS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553945; PubChem:CID155586940
|
Local ready
Direct docking supported
|
|
E3L026335
BDB026335
|
BDBM553946
CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C(F)F)CC3)cc2[nH]c1=O
|
C23H26F2N6O2 456.497000 |
SBLVNLSHQHGWMG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553946; PubChem:CID155586893
|
Local ready
Direct docking supported
|
|
E3L026336
BDB026336
|
BDBM553947
CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O
|
C22H26N6O2 406.490000 |
WWBAAJGNNHHVBK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553947; PubChem:CID155587002
|
Local ready
Direct docking supported
|
|
E3L026337
BDB026337
|
BDBM553948
CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4F)CC3)cc2[nH]c1=O
|
C22H25FN6O2 424.480000 |
IEYVHGZKGZORPQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553948; PubChem:CID155586983
|
Local ready
Direct docking supported
|
|
E3L026338
BDB026338
|
BDBM553950
CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C)CC3)cc2[nH]c1=O
|
C23H28N6O2 420.517000 |
JZCSKYRUZXBXOE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553950; PubChem:CID155586922
|
Local ready
Direct docking supported
|
|
E3L026339
BDB026339
|
BDBM553951
CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4Cl)CC3)cc2[nH]c1=O
|
C22H25ClN6O2 440.935000 |
NNORNVGSHBFFMI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553951; PubChem:CID155586892
|
Local ready
Direct docking supported
|
|
E3L026340
BDB026340
|
BDBM553952
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C(F)(F)F)c(=O)[nH]c4c3)CC2)cn1
|
C21H21F3N6O2 446.433000 |
LBINYHXQLJHFDM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553952; PubChem:CID155586971
|
Local ready
Direct docking supported
|