| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017701
BDB017701
|
BDBM419821
N#Cc1ccc(N2C3CCC2CN(Cc2ccc4c5c(c(=O)[nH]c4c2)CCCN5)C3)nc1
|
C25H26N6O 426.524000 |
ZUXIOPFYSMZLKD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419821; PubChem:CID124134817
|
Local ready
Direct docking supported
|
|
E3L017702
BDB017702
|
BDBM419822
O=c1[nH]c2cc(CN3C4CCC3CN(c3ccc(Cl)nn3)C4)ccc2c2c1CCCN2
|
C23H25ClN6O 436.947000 |
WPSFTNDXYZENJA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419822; PubChem:CID124134778
|
Local ready
Direct docking supported
|
|
E3L017703
BDB017703
|
BDBM419823
N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3Cc2ccc3c4c(c(=O)[nH]c3c2)CCCN4)c(F)c1
|
C25H24FN5O 429.499000 |
AMWNTQXPBJQZET-ROUUACIJSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419823; PubChem:CID124134779
|
Local ready
Direct docking supported
|
|
E3L017704
BDB017704
|
BDBM419824
O=c1[nH]c2cc(CN3C[C@@H]4C[C@H]3CN4c3ccc([N+](=O)[O-])cc3F)ccc2c2c1CCCN2
|
C24H24FN5O3 449.486000 |
BYVRMNFKQPRJNP-IRXDYDNUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419824; PubChem:CID124134776
|
Local ready
Direct docking supported
|
|
E3L017705
BDB017705
|
BDBM419825
O=c1[nH]c2cc(CN3C[C@@H]4C[C@H]3CN4c3ccc(Cl)nn3)cc(F)c2c2c1CCCN2
|
C22H22ClFN6O 440.910000 |
DNVWMTSPHCCJCK-KBPBESRZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419825; PubChem:CID124134780
|
Local ready
Direct docking supported
|
|
E3L017706
BDB017706
|
BDBM419826
O=c1[nH]c2cc(CN3C[C@@H]4C[C@H]3CN4c3cnccn3)cc(F)c2c2c1CCCN2
|
C22H23FN6O 406.465000 |
DTLOQEBCHBJBQH-GJZGRUSLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419826; PubChem:CID124134782
|
Local ready
Direct docking supported
|
|
E3L017707
BDB017707
|
BDBM419827
C[C@H]1CN(Cc2ccc3c4c(c(=O)[nH]c3c2)CCCN4)CCN1c1ccc(C#N)c(F)c1
|
C25H26FN5O 431.515000 |
IZESLSBCDWQCRJ-INIZCTEOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419827; PubChem:CID124134770
|
Local ready
Direct docking supported
|
|
E3L017708
BDB017708
|
BDBM419828
O=c1[nH]c2cc(CN3CCN(c4ccc([N+](=O)[O-])cc4F)CC3)cc(F)c2c2c1CCCN2
|
C23H23F2N5O3 455.465000 |
VVANDCOCANQHFY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419828; PubChem:CID124134667
|
Local ready
Direct docking supported
|
|
E3L017709
BDB017709
|
BDBM419829
O=c1[nH]c2cc(CN3CCN(c4ccccn4)CC3)cc(F)c2c2c1CCCN2
|
C22H24FN5O 393.466000 |
ZGMGCVMYDSXGAA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419829; PubChem:CID124134854
|
Local ready
Direct docking supported
|
|
E3L017710
BDB017710
|
BDBM419830
Cc1cccnc1N1CCN(Cc2cc(F)c3c4c(c(=O)[nH]c3c2)CCCN4)CC1
|
C23H26FN5O 407.493000 |
XFINVNDWTKKVHT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419830; PubChem:CID124134858
|
Local ready
Direct docking supported
|
|
E3L017711
BDB017711
|
BDBM419831
O=c1[nH]c2cc(CN3CCN(c4ccc(F)cn4)CC3)cc(F)c2c2c1CCCN2
|
C22H23F2N5O 411.456000 |
GXLCEYYXBWDRJO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419831; PubChem:CID124134857
|
Local ready
Direct docking supported
|
|
E3L017712
BDB017712
|
BDBM419832
N#Cc1ccc(N2CCN(Cc3cc(F)c4c5c(c(=O)[nH]c4c3)CCCN5)CC2)nc1
|
C23H23FN6O 418.476000 |
CVLCVUYBIPUQBG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419832; PubChem:CID124134856
|
Local ready
Direct docking supported
|
|
E3L017713
BDB017713
|
BDBM419833
N#Cc1cnc(N2CCN(Cc3cc(F)c4c5c(c(=O)[nH]c4c3)CCCN5)CC2)s1
|
C21H21FN6OS 424.505000 |
IZKKJBVPFFOLOL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419833; PubChem:CID124134891
|
Local ready
Direct docking supported
|
|
E3L017714
BDB017714
|
BDBM419834
O=c1[nH]c2cc(CN3CCN(c4ccc(F)cc4)CC3)cc(F)c2c2c1CCCN2
|
C23H24F2N4O 410.468000 |
UEVFMGJBRLJVKO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419834; PubChem:CID124134879
|
Local ready
Direct docking supported
|
|
E3L017715
BDB017715
|
BDBM419835
N#Cc1ccc(N2CCN(Cc3cc(F)c4c5c(c(=O)[nH]c4c3)CCCN5)CC2)cc1F
|
C24H23F2N5O 435.478000 |
LGMZTJLUPSIIHS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419835; PubChem:CID124134889
|
Local ready
Direct docking supported
|
|
E3L017716
BDB017716
|
BDBM419836
N#Cc1ccc(N2CCN(Cc3cc(F)c4c5c(c(=O)[nH]c4c3)CCCN5)CC2)cc1C(F)(F)F
|
C25H23F4N5O 485.485000 |
MLCFDNDRFBGJAZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419836; PubChem:CID124134888
|
Local ready
Direct docking supported
|
|
E3L017717
BDB017717
|
BDBM419837
Cc1cc(F)ccc1N1CCN(Cc2cc(F)c3c4c(c(=O)[nH]c3c2)CCCN4)CC1
|
C24H26F2N4O 424.495000 |
XMTDEEBBKFYDOX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419837; PubChem:CID124134880
|
Local ready
Direct docking supported
|
|
E3L017718
BDB017718
|
BDBM419838
N#Cc1ccc(N2CCN(Cc3cc(F)c4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(F)c1
|
C24H23F2N5O 435.478000 |
RRTBNWLSPAIIKM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419838; PubChem:CID124134784
|
Local ready
Direct docking supported
|
|
E3L017719
BDB017719
|
BDBM419839
N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3Cc2cc(F)c3c4c(c(=O)[nH]c3c2)CCCN4)nc1
|
C24H23FN6O 430.487000 |
AURCLDMUVVKGCY-IRXDYDNUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419839; PubChem:CID124134781
|
Local ready
Direct docking supported
|
|
E3L017720
BDB017720
|
BDBM419840
O=c1[nH]c2cc(CN3CCN(c4cnccn4)CC3)cc(F)c2c2c1CCCN2
|
C21H23FN6O 394.454000 |
FADNVFGOLBDUSB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419840; PubChem:CID124134786
|
Local ready
Direct docking supported
|