| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049921
BDB049921
|
BDBM50251618
NC(=O)c1cccc2[nH]c(C3(N)Cc4ccccc4C3)nc12
|
C17H16N4O 292.342000 |
JIUQWKGCJFCNCT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251618; PubChem:CID44567902
|
Local ready
Direct docking supported
|
|
E3L049922
BDB049922
|
BDBM50251619
CCCNC(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
|
C14H20N4O 260.341000 |
XYBZQRLHBMBCTQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251619; PubChem:CID11959814
|
Local ready
Direct docking supported
|
|
E3L049923
BDB049923
|
BDBM50251620
CC(C)NC(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
|
C14H20N4O 260.341000 |
YAYSHFPAEPFXLI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251620; PubChem:CID11959906
|
Local ready
Direct docking supported
|
|
E3L049924
BDB049924
|
BDBM50251621
CC(C)(NCC1CC1)c1nc2cccc(C(N)=O)c2[nH]1
|
C15H20N4O 272.352000 |
SEZPYWOGJTVXTA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251621; PubChem:CID44567903
|
Local ready
Direct docking supported
|
|
E3L049925
BDB049925
|
BDBM50251622
CC(C)(NC1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1
|
C16H22N4O 286.379000 |
POHXYUMXWOBJKO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251622; PubChem:CID11959909
|
Local ready
Direct docking supported
|
|
E3L049926
BDB049926
|
BDBM50251655
CC(C)(NCCc1ccccc1)c1nc2cccc(C(N)=O)c2[nH]1
|
C19H22N4O 322.412000 |
GZKVRDGDEALMRH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251655; PubChem:CID11959816
|
Local ready
Direct docking supported
|
|
E3L049927
BDB049927
|
BDBM50251656
CCNC(=O)NC(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
|
C14H19N5O2 289.339000 |
FNKQTDRFQXUIRH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251656; PubChem:CID11959911
|
Local ready
Direct docking supported
|
|
E3L049928
BDB049928
|
BDBM50251657
CNC(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
|
C12H16N4O 232.287000 |
BLFXWOOHLAQKGB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251657; PubChem:CID44567953
|
Local ready
Direct docking supported
|
|
E3L049929
BDB049929
|
BDBM50251658
CN(C)C(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
|
C13H18N4O 246.314000 |
VEJUKQSFQCPCBW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251658; PubChem:CID44567954
|
Local ready
Direct docking supported
|
|
E3L049930
BDB049930
|
BDBM50251659
CN(C1CCC1)C(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
|
C16H22N4O 286.379000 |
YFOLFXVCGRQQMD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251659; PubChem:CID44567955
|
Local ready
Direct docking supported
|
|
E3L049931
BDB049931
|
BDBM50251660
CN(CC1CCOC1)C(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
|
C17H24N4O2 316.405000 |
VTFZXCNGPJFHHA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251660; PubChem:CID44567956
|
Local ready
Direct docking supported
|
|
E3L049932
BDB049932
|
BDBM50251661
CC(C)(c1nc2cccc(C(N)=O)c2[nH]1)N1CCCC1
|
C15H20N4O 272.352000 |
MVQMCGAJDMVGJP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251661; PubChem:CID44567957
|
Local ready
Direct docking supported
|
|
E3L049933
BDB049933
|
BDBM50251695
CC(C)(c1nc2cccc(C(N)=O)c2[nH]1)N1CCCCC1
|
C16H22N4O 286.379000 |
DGRRONUEGQIKCT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251695; PubChem:CID44568000
|
Local ready
Direct docking supported
|
|
E3L049934
BDB049934
|
BDBM50251910
CCCCNC(=O)c1cccc(NC(=O)CCCCCCNc2cc(N)ncn2)c1
|
C22H32N6O2 412.538000 |
QZGYUGUJRPAOKU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50251910; PubChem:CID44568212
|
Local ready
Direct docking supported
|
|
E3L049935
BDB049935
|
BDBM50251960
CCCCNC(=O)c1cccc(NC(=O)CCCCCNc2ncnc3nc[nH]c23)c1
|
C22H29N7O2 423.521000 |
WOYITRCGMUXUDE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50251960; PubChem:CID24893974
|
Local ready
Direct docking supported
|
|
E3L049936
BDB049936
|
N-Hexyl-9H-purin-6-amine
CCCCCCNc1ncnc2nc[nH]c12
|
C11H17N5 219.292000 |
SSVCRPKUKBLUMH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50251961; PubChem:CID1870
|
Local ready
Direct docking supported
|
|
E3L049937
BDB049937
|
BDBM50252699
CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)O
|
C18H30N4O10 462.456000 |
WSIMGVDWHZEOAI-PREJHDKISA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50252699; PubChem:CID11619578
|
Local ready
Direct docking supported
|
|
E3L049938
BDB049938
|
BDBM50252700
CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(N)=O)C(=O)O
|
C17H29N5O9 447.445000 |
FJPPEXQVQYMTNX-YVNDNENWSA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50252700; PubChem:CID44568787
|
Local ready
Direct docking supported
|
|
E3L049939
BDB049939
|
H-Glu-xiThr-Ala-Val-OH
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)O)C(=O)O
|
C17H30N4O8 418.447000 |
VWOKOWYAFVGHDQ-SXZQQOGPSA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50252701; PubChem:CID44568788
|
Local ready
Direct docking supported
|
|
E3L049940
BDB049940
|
N-Methyl-ETAV
CN[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)C(C)C)C(C)O
|
C18H32N4O8 432.474000 |
LOKBVOQPMLVOAY-CGTOJEAQSA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50252702; PubChem:CID44568789
|
Local ready
Direct docking supported
|