| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L014041
BDB014041
|
US9611224, Example 55h
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(CCCc2ccccc2)C1=O
|
C23H29N3O2 379.504000 |
ZOQWCJURFVGFPF-PXNSSMCTSA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM314369; PubChem:CID118566153
|
Local ready
Direct docking supported
|
|
E3L014042
BDB014042
|
Sapanisertib
CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21
|
C15H15N7O 309.333000 |
GYLDXIAOMVERTK-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM315477; PubChem:CID45375953
|
Local ready
Direct docking supported
|
|
E3L014043
BDB014043
|
US10172858, Table 2.11
CC(C)n1nc(-c2cc3cccc(O)c3[nH]2)c2c(N)ncnc21
|
C16H16N6O 308.345000 |
DWMSSWRQJCJQFL-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM315515; PubChem:CID136088611
|
Local ready
Direct docking supported
|
|
E3L014044
BDB014044
|
US10172858, Table 2.16
CC(C)n1nc(-c2cc3cc(O)cc(F)c3[nH]2)c2c(N)ncnc21
|
C16H15FN6O 326.335000 |
LUKIMGGLSGHDAN-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM315520; PubChem:CID136088607
|
Local ready
Direct docking supported
|
|
E3L014045
BDB014045
|
US10172858, Table 2.42
Nc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C1CCOCC1
|
C18H18N6O2 350.382000 |
BSAIWOVMAFXWGG-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM315547; PubChem:CID136088604
|
Local ready
Direct docking supported
|
|
E3L014046
BDB014046
|
US10172858, Table 2.62
Nc1ncnc2c1c(-c1cc3cccc(O)c3[nH]1)nn2C1CCOCC1
|
C18H18N6O2 350.382000 |
FPBHABZEDHGIJO-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM315565; PubChem:CID136088597
|
Local ready
Direct docking supported
|
|
E3L014047
BDB014047
|
US10172858, Table 2.63
COc1cccc2cc(-c3nn(C4CCOCC4)c4ncnc(N)c34)[nH]c12
|
C19H20N6O2 364.409000 |
ZEKMMWTXUQTYFE-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM315566; PubChem:CID136088593
|
Local ready
Direct docking supported
|
|
E3L014048
BDB014048
|
US10172858, Table 2.68
Nc1ncnc2c1c(-c1cc3cc(O)cc(Cl)c3[nH]1)nn2C1CCOCC1
|
C18H17ClN6O2 384.827000 |
ZQEMGSHFLAOJBZ-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM315572; PubChem:CID136088584
|
Local ready
Direct docking supported
|
|
E3L014049
BDB014049
|
US10172858, Table 2.69
CC(=O)N1CCC(n2nc(-c3cc4c(Cl)ccc(O)c4[nH]3)c3c(N)ncnc32)CC1
|
C20H20ClN7O2 425.880000 |
ATJKHELAJSCQES-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM315573; PubChem:CID136088606
|
Local ready
Direct docking supported
|
|
E3L014050
BDB014050
|
US10172858, Table 2.70
CC(=O)N1CCC(n2nc(-c3cc4cc(O)cc(Cl)c4[nH]3)c3c(N)ncnc32)CC1
|
C20H20ClN7O2 425.880000 |
FDJSQHVHCVOQLN-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM315574; PubChem:CID136088622
|
Local ready
Direct docking supported
|
|
E3L014051
BDB014051
|
BDBM317286
CC(C)(C)C(=O)ON[C@@H](Cc1ccccc1)C(=O)N1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1
|
C26H27N5O4 473.533000 |
FWVKSMSZORBFPB-SFHVURJKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM317286; PubChem:CID177666608
|
Local ready
Direct docking supported
|
|
E3L014052
BDB014052
|
BDBM317290
CC1(C)CC2=NNC(=O)c3cc(F)cc4c3c2c(n4CCO)C1
|
C17H18FN3O2 315.348000 |
DUJMJYGZZBLUBK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM317290; PubChem:CID121388988
|
Local ready
Direct docking supported
|
|
E3L014053
BDB014053
|
BDBM318007
CN1CCCc2c1nc(N1CCN(Cc3ncccn3)CC1)[nH]c2=O
|
C17H23N7O 341.419000 |
FOMOQTCFXCTELV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318007; PubChem:CID136954037
|
Local ready
Direct docking supported
|
|
E3L014054
BDB014054
|
BDBM318008
CN1CCCc2c1nc(N1CCN(Cc3ncccc3Cl)CC1)[nH]c2=O
|
C18H23ClN6O 374.876000 |
WWNPUHZOGTUNGR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318008; PubChem:CID136664424
|
Local ready
Direct docking supported
|
|
E3L014055
BDB014055
|
BDBM318009
CN1CCCc2c1nc(N1CCN(Cc3ncccc3Br)CC1)[nH]c2=O
|
C18H23BrN6O 419.327000 |
CAHIWXFAYUQRIN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318009; PubChem:CID136954004
|
Local ready
Direct docking supported
|
|
E3L014056
BDB014056
|
BDBM318010
CN1CCCc2c1nc(N1CCN(Cc3ncccc3O)CC1)[nH]c2=O
|
C18H24N6O2 356.430000 |
VFXBLJYICQUSGU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318010; PubChem:CID136987050
|
Local ready
Direct docking supported
|
|
E3L014057
BDB014057
|
BDBM318011
CC(c1ncc(F)cn1)N1CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1
|
C18H24FN7O 373.436000 |
HKLQJEGTXNKNIH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318011; PubChem:CID136987049
|
Local ready
Direct docking supported
|
|
E3L014058
BDB014058
|
BDBM318013
CC(c1ncccn1)N1CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1
|
C18H25N7O 355.446000 |
OAXYPHWHZZNXGF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318013; PubChem:CID136987039
|
Local ready
Direct docking supported
|
|
E3L014059
BDB014059
|
BDBM318014
CC(c1ncccn1)N1CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1
|
C18H25N7O 355.446000 |
OAXYPHWHZZNXGF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318014; PubChem:CID136987039
|
Local ready
Direct docking supported
|
|
E3L014060
BDB014060
|
BDBM318016
CCC(c1ncccn1)N1CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1
|
C19H27N7O 369.473000 |
MMVLLPFESXFQML-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM318016
|
Local ready
Direct docking supported
|