| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017641
BDB017641
|
BDBM419761
CCOC(=O)c1csc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)n1
|
C23H27N5O3S 453.568000 |
WQVZBZQCVBIXLT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419761; PubChem:CID124134887
|
Local ready
Direct docking supported
|
|
E3L017642
BDB017642
|
BDBM419762
CCNC(=O)c1csc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)n1
|
C23H28N6O2S 452.584000 |
WOBDQRLNYWLLJQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419762; PubChem:CID124134882
|
Local ready
Direct docking supported
|
|
E3L017643
BDB017643
|
BDBM419763
N#Cc1ccc(N2CC3CCC(C2)N3Cc2ccc3c4c(c(=O)[nH]c3c2)CCCN4)cc1F
|
C26H26FN5O 443.526000 |
OXULFDKDMPHAFP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419763; PubChem:CID124134886
|
Local ready
Direct docking supported
|
|
E3L017644
BDB017644
|
BDBM419764
N#Cc1ccc(N2CC3CCC(C2)N3Cc2ccc3c4c(c(=O)[nH]c3c2)CCCN4)nc1
|
C25H26N6O 426.524000 |
GXXRJPKTTBCLNF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419764; PubChem:CID124134883
|
Local ready
Direct docking supported
|
|
E3L017645
BDB017645
|
BDBM419765
N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3Cc2ccc3c4c(c(=O)[nH]c3c2)CCCN4)cc1F
|
C25H24FN5O 429.499000 |
NJQTWWNECKEAQJ-OALUTQOASA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419765; PubChem:CID124134818
|
Local ready
Direct docking supported
|
|
E3L017646
BDB017646
|
BDBM419766
N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3Cc2ccc3c4c(c(=O)[nH]c3c2)CCCN4)nc1
|
C24H24N6O 412.497000 |
FBGYDRBIQYAULP-ROUUACIJSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419766; PubChem:CID124134822
|
Local ready
Direct docking supported
|
|
E3L017647
BDB017647
|
BDBM419767
Cc1cc(CN2CCN(c3ncc(F)cn3)CC2C)cc2[nH]c(=O)c3c(c12)NCCC3
|
C23H27FN6O 422.508000 |
HIKRTMHGUZNHDR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419767; PubChem:CID134595880
|
Local ready
Direct docking supported
|
|
E3L017648
BDB017648
|
BDBM419768
Cc1cc(CN2CCN(c3ccc(F)cn3)CC2C)cc2[nH]c(=O)c3c(c12)NCCC3
|
C24H28FN5O 421.520000 |
UZNMVANVDHOBLA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419768; PubChem:CID134595860
|
Local ready
Direct docking supported
|
|
E3L017649
BDB017649
|
BDBM419769
CC1CN(c2ccc(C#N)cc2F)CCN1Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C25H26FN5O 431.515000 |
MWLJLVHPVHBVDL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419769; PubChem:CID124134657
|
Local ready
Direct docking supported
|
|
E3L017650
BDB017650
|
BDBM419770
C[C@@H]1CN(c2ccc(C#N)cc2F)CCN1Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C25H26FN5O 431.515000 |
MWLJLVHPVHBVDL-MRXNPFEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419770; PubChem:CID124134651
|
Local ready
Direct docking supported
|
|
E3L017651
BDB017651
|
BDBM419771
C[C@H]1CN(c2ccc(C#N)cc2F)CCN1Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C25H26FN5O 431.515000 |
MWLJLVHPVHBVDL-INIZCTEOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419771; PubChem:CID124134655
|
Local ready
Direct docking supported
|
|
E3L017652
BDB017652
|
BDBM419772
C[C@@H]1CN(Cc2ccc3c4c(c(=O)[nH]c3c2)CCCN4)CCN1c1ccc(C#N)cc1F
|
C25H26FN5O 431.515000 |
NPOFZKXRQDDDDY-MRXNPFEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419772; PubChem:CID124134656
|
Local ready
Direct docking supported
|
|
E3L017653
BDB017653
|
BDBM419773
CC1CN(c2ccc(C#N)c(F)c2)CCN1Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C25H26FN5O 431.515000 |
SOASXIFPFLUWRH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419773; PubChem:CID134595875
|
Local ready
Direct docking supported
|
|
E3L017654
BDB017654
|
BDBM419774
C[C@@H]1CN(c2ccc(C#N)c(F)c2)CCN1Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C25H26FN5O 431.515000 |
SOASXIFPFLUWRH-MRXNPFEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419774; PubChem:CID124134842
|
Local ready
Direct docking supported
|
|
E3L017655
BDB017655
|
BDBM419775
C[C@H]1CN(c2ccc(C#N)c(F)c2)CCN1Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C25H26FN5O 431.515000 |
SOASXIFPFLUWRH-INIZCTEOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419775; PubChem:CID124134843
|
Local ready
Direct docking supported
|
|
E3L017656
BDB017656
|
BDBM419776
C[C@@H]1CN(Cc2ccc3c4c(c(=O)[nH]c3c2)CCCN4)CCN1c1ccc(C#N)c(F)c1
|
C25H26FN5O 431.515000 |
IZESLSBCDWQCRJ-MRXNPFEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419776; PubChem:CID124134840
|
Local ready
Direct docking supported
|
|
E3L017657
BDB017657
|
BDBM419777
O=c1[nH]c2cc(CN3CCN(c4ccc(C(F)(F)F)cc4)CC3)ccc2c2c1CCCN2
|
C24H25F3N4O 442.485000 |
YHHUFFJGFSAMHN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419777; PubChem:CID124134878
|
Local ready
Direct docking supported
|
|
E3L017658
BDB017658
|
BDBM419778
Cc1cc(CN2CCN(c3ccc(C#N)cn3)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C24H26N6O 414.513000 |
QRCXUSCTMYLUAI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419778; PubChem:CID134595877
|
Local ready
Direct docking supported
|
|
E3L017659
BDB017659
|
BDBM419779
O=c1[nH]c2cc(CN3CCN(c4ccc(C(F)(F)F)cc4Cl)CC3)ccc2c2c1CCCN2
|
C24H24ClF3N4O 476.930000 |
OUECWCFOGVJROT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419779; PubChem:CID124134670
|
Local ready
Direct docking supported
|
|
E3L017660
BDB017660
|
BDBM419780
O=c1[nH]c2cc(CN3CCN(c4ccc(C(F)(F)F)c(Cl)c4)CC3)ccc2c2c1CCCN2
|
C24H24ClF3N4O 476.930000 |
HQMBNWSBOYPIIE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419780; PubChem:CID124134673
|
Local ready
Direct docking supported
|