| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055701
BDB055701
|
BDBM50427567
COCCCOc1cc(C(=O)N(CC2CNCC2Cc2ccccc2)c2ccccc2)ccc1OC
|
C30H36N2O4 488.628000 |
IPJRQAZTQSVCEJ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50427567; PubChem:CID68446370
|
Local ready
Direct docking supported
|
|
E3L055702
BDB055702
|
BDBM50427568
COCCCOc1cc(C(=O)N(CC2CNCC2Cc2ccccc2)c2ccc(Cl)cc2)ccc1OC
|
C30H35ClN2O4 523.073000 |
YVMRZYPIAAUZMZ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50427568; PubChem:CID68446051
|
Local ready
Direct docking supported
|
|
E3L055703
BDB055703
|
BDBM50427569
COCCCOc1cc(CN(CC2CNCC2Cc2ccccc2)C(C)C)ccc1OC
|
C27H40N2O3 440.628000 |
VIWDMAIINMWKQU-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50427569; PubChem:CID68447156
|
Local ready
Direct docking supported
|
|
E3L055704
BDB055704
|
BDBM50427570
COCCCOc1cc(CN(CC2CNCC2Cc2ccccc2)c2ccc(Cl)cc2)ccc1OC
|
C30H37ClN2O3 509.090000 |
WKIAMHCWMIABDD-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50427570; PubChem:CID68448300
|
Local ready
Direct docking supported
|
|
E3L055705
BDB055705
|
BDBM50427571
Clc1ccc(N(Cc2ccccc2)CC2CNCC2Cc2ccccc2)cc1
|
C25H27ClN2 390.958000 |
IDODFJGRTWMEIV-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50427571; PubChem:CID68445580
|
Local ready
Direct docking supported
|
|
E3L055706
BDB055706
|
BDBM50427572
Clc1ccc(N(C[C@H]2CNC[C@@H]2Cc2ccccc2)c2ccccc2)cc1
|
C24H25ClN2 376.931000 |
FCWGSUKXROLTNW-LEWJYISDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50427572; PubChem:CID11516368
|
Local ready
Direct docking supported
|
|
E3L055707
BDB055707
|
BDBM50427787
O=C(NCC(=O)N1CCCCC1)Nc1ccc2nnsc2c1
|
C14H17N5O2S 319.390000 |
MYTRGTBDVGKKRO-UHFFFAOYSA-N | Q9NRL2 | Bromodomain adjacent to zinc finger domain protein 1A |
BindingDB, PubChem
BindingDB:BDBM50427787; PubChem:CID71583615
|
Local ready
Direct docking supported
|
|
E3L055708
BDB055708
|
BDBM50427915
Cc1c(Cc2ccc(F)c(C(=O)N3CCc4cccc5c4C3CNC5=O)c2)n[nH]c(=O)c1C
|
C25H23FN4O3 446.482000 |
YNHFLDPZFURLFR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427915; PubChem:CID71604563
|
Local ready
Direct docking supported
|
|
E3L055709
BDB055709
|
BDBM50427916
O=C(NC1CNC(=O)c2ccccc21)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
|
C25H20N4O3 424.460000 |
TXYNKIHXMROUHO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427916; PubChem:CID71605032
|
Local ready
Direct docking supported
|
|
E3L055710
BDB055710
|
BDBM50427917
O=C(NC1CNC(=O)c2ccccc21)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
|
C25H19FN4O3 442.450000 |
OBRIVOPVLAXDPM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427917; PubChem:CID71605031
|
Local ready
Direct docking supported
|
|
E3L055711
BDB055711
|
BDBM50427918
CN(C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C1CC(=O)c2ccccc21
|
C26H20FN3O3 441.462000 |
UABQPUNAJLSLCT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427918; PubChem:CID71605030
|
Local ready
Direct docking supported
|
|
E3L055712
BDB055712
|
BDBM50427919
O=C(N[C@@H]1C[C@@H](O)c2ccccc21)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
|
C25H20FN3O3 429.451000 |
XVLGMXJEFBHNKQ-FYYLOGMGSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427919; PubChem:CID71604872
|
Local ready
Direct docking supported
|
|
E3L055713
BDB055713
|
BDBM50427920
O=C(N[C@@H]1C[C@H](O)c2ccccc21)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
|
C25H20FN3O3 429.451000 |
XVLGMXJEFBHNKQ-GGAORHGYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427920; PubChem:CID71604871
|
Local ready
Direct docking supported
|
|
E3L055714
BDB055714
|
BDBM50427921
O=C(NC1CC(=O)c2ccccc21)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
|
C25H18FN3O3 427.435000 |
UNPGYBTZVNFXBS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427921; PubChem:CID71604870
|
Local ready
Direct docking supported
|
|
E3L055715
BDB055715
|
BDBM50427922
NC1CC2c3c(cccc31)CCN2C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
|
C27H23FN4O2 454.505000 |
QYNGVVZJWMYHOJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427922; PubChem:CID71604869
|
Local ready
Direct docking supported
|
|
E3L055716
BDB055716
|
BDBM50427923
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCc2cccc3c2C1CC3F
|
C27H21F2N3O2 457.480000 |
ZXMRGATUZMUIQI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427923; PubChem:CID71604868
|
Local ready
Direct docking supported
|
|
E3L055717
BDB055717
|
BDBM50427924
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCc2cccc3c2C1CC3O
|
C27H22FN3O3 455.489000 |
IZQGPIIOAMUKOS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427924; PubChem:CID71604867
|
Local ready
Direct docking supported
|
|
E3L055718
BDB055718
|
BDBM50427925
O=C1CC2c3c(cccc31)CCN2C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
|
C27H20FN3O3 453.473000 |
XSPSNGRGTPWRHB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427925; PubChem:CID71604719
|
Local ready
Direct docking supported
|
|
E3L055719
BDB055719
|
BDBM50427926
O=C1CC2c3c(cccc3N1)CCN2C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
|
C27H21FN4O3 468.488000 |
AAUSESQBFIRQBR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427926; PubChem:CID71604718
|
Local ready
Direct docking supported
|
|
E3L055720
BDB055720
|
BDBM50427927
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1Cc2cccc3c2C(C1)NCC3
|
C27H23FN4O2 454.505000 |
YGKSRDYCSHXOLZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427927; PubChem:CID71604717
|
Local ready
Direct docking supported
|