| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L010741
BDB010741
|
BDBM224634
O=c1[nH]nc2c3c(c(Br)ccc13)NC1=C2CCCC1
|
C14H12BrN3O 318.174000 |
FHSYDPISFRZMHI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM224634
|
Local ready
Direct docking supported
|
|
E3L010742
BDB010742
|
BDBM224635
O=c1[nH]nc2c3c(c(Cl)ccc13)NC1=C2CCCCC1
|
C15H14ClN3O 287.750000 |
WYAMVMZUUAYLTF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM224635
|
Local ready
Direct docking supported
|
|
E3L010743
BDB010743
|
BDBM224636
O=c1[nH]nc2c3c(c(Cl)ccc13)NC1=C2CCCC1
|
C14H12ClN3O 273.723000 |
YCKIESTUCCJJFO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM224636
|
Local ready
Direct docking supported
|
|
E3L010744
BDB010744
|
BDBM224637
O=c1[nH]nc2c3c(cccc13)NC1=C2CCC1
|
C13H11N3O 225.251000 |
HETQFLWNGHJHJZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM224637
|
Local ready
Direct docking supported
|
|
E3L010745
BDB010745
|
BDBM224638
CC(=O)NNc1cc2c3c(n[nH]c(=O)c3c1)C1=C(CCCCC1)N2
|
C17H19N5O2 325.372000 |
QGXROUUSCXGMPS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM224638
|
Local ready
Direct docking supported
|
|
E3L010746
BDB010746
|
BDBM224639
O=c1[nH]nc2c3c(cccc13)NC1=C2c2ccccc2CC1
|
C18H13N3O 287.322000 |
FILJAEXDEALNOB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM224639
|
Local ready
Direct docking supported
|
|
E3L010747
BDB010747
|
BDBM224640
CC(C)(C)OC(=O)N1CCC2=C(C1)Nc1cccc3c(=O)[nH]nc2c13
|
C18H20N4O3 340.383000 |
RDWMOYFDWSZBAZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM224640
|
Local ready
Direct docking supported
|
|
E3L010748
BDB010748
|
BDBM224641
O=c1[nH]nc2c3c(cccc13)NC1=C2CCNC1
|
C13H12N4O 240.266000 |
XQOHUNRPGOTXDR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM224641
|
Local ready
Direct docking supported
|
|
E3L010749
BDB010749
|
BDBM224642
CC(C)(NC(=O)OCc1ccccc1)C(=O)N1CCC2=C(C1)Nc1cccc3c(=O)[nH]nc2c13
|
C25H25N5O4 459.506000 |
IABJUUXTFVPVLU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM224642
|
Local ready
Direct docking supported
|
|
E3L010750
BDB010750
|
BDBM224643
CC1(C(=O)N2CCC3=C(C2)Nc2cccc4c(=O)[nH]nc3c24)CC1
|
C18H18N4O2 322.368000 |
VBERQHBAANPUAP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM224643
|
Local ready
Direct docking supported
|
|
E3L010751
BDB010751
|
BDBM224644
CC1(C)C(C(=O)N2CCC3=C(C2)Nc2cccc4c(=O)[nH]nc3c24)C1(C)C
|
C21H24N4O2 364.449000 |
QKFJKUSURHTDNT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM224644
|
Local ready
Direct docking supported
|
|
E3L010752
BDB010752
|
BDBM224645
O=c1[nH]nc2c3c(cccc13)NC1=C2CCN(Cc2ccccc2)C1
|
C20H18N4O 330.391000 |
GFUWRTZMZMICED-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM224645
|
Local ready
Direct docking supported
|
|
E3L010753
BDB010753
|
BDBM224646
CC[C@@H]1COCCN1c1nc2nc(-c3noc(=O)[nH]3)nc(-c3cccc(Cl)c3)c2n1C(C)[C@H]1CC[C@H](C)CC1
|
C28H34ClN7O3 552.079000 |
FZLZTJMCRBEESJ-BEKQNFRLSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM224646
|
Local ready
Direct docking supported
|
|
E3L010754
BDB010754
|
BDBM224648
CC([C@H]1CC[C@H](C)CC1)n1c(N2CCOC3CCCC32)nc2nc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c21
|
C28H33ClN8O3 565.078000 |
SRGJLUQLQDLXRH-CYGPARBISA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM224648
|
Local ready
Direct docking supported
|
|
E3L010755
BDB010755
|
BDBM224650
C[C@@H](Nc1nc(-c2noc(=O)[nH]2)nc2nc(Sc3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)C1CCC1
|
C27H33N7O2S 519.675000 |
GLXRURRYAHCPBI-KZNAEPCWSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM224650
|
Local ready
Direct docking supported
|
|
E3L010756
BDB010756
|
BDBM224651
C[C@@H](Nc1nc(-c2noc(=O)[nH]2)nc2nc([S+]([O-])c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)C1CCC1
|
C27H33N7O3S 535.674000 |
SFZXMVHWYZKKFQ-JSKBBENCSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM224651
|
Local ready
Direct docking supported
|
|
E3L010757
BDB010757
|
BDBM224652
C[C@@H](Nc1nc(-c2noc(=O)[nH]2)nc2nc(S(=O)(=O)c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)C1CCC1
|
C27H33N7O4S 551.673000 |
YSOMSLCIJJXFNO-KZNAEPCWSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM224652
|
Local ready
Direct docking supported
|
|
E3L010758
BDB010758
|
BDBM224653
C[C@H]1CC[C@H](Cn2c(SC3CCCC3)nc3nc(-c4n[nH]c(=O)o4)nc(-c4cncc(Cl)c4)c32)CC1
|
C25H28ClN7O2S 526.066000 |
GEYXPNRZEKNFBK-SHTZXODSSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM224653
|
Local ready
Direct docking supported
|
|
E3L010759
BDB010759
|
BDBM224654
C[C@H]1CC[C@H](Cn2c(S(=O)(=O)C3CCCC3)nc3nc(-c4n[nH]c(=O)o4)nc(-c4cncc(Cl)c4)c32)CC1
|
C25H28ClN7O4S 558.064000 |
RZTRJXRGZFQROJ-SHTZXODSSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM224654
|
Local ready
Direct docking supported
|
|
E3L010760
BDB010760
|
BDBM224655
C[C@H]1CC[C@H](Cn2c(Sc3ccccc3)nc3nc(-c4n[nH]c(=O)o4)nc(-c4cncc(Cl)c4)c32)CC1
|
C26H24ClN7O2S 534.045000 |
QWDOCKKFSQXMAA-WKILWMFISA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM224655
|
Local ready
Direct docking supported
|