| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046061
BDB046061
|
BDBM50120276
CC(CC(=O)NCC(=O)c1ccc2ccccc2c1)n1c2c(c(=O)[nH]c1=O)CCCC2
|
C24H25N3O4 419.481000 |
XYMUWEHPUPEGET-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120276; PubChem:CID44337964
|
Local ready
Direct docking supported
|
|
E3L046062
BDB046062
|
BDBM50120277
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(Oc2ccccc2)cc1
|
C24H23N3O5S 465.531000 |
XMQYQUOCNVCVBS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120277; PubChem:CID44338230
|
Local ready
Direct docking supported
|
|
E3L046063
BDB046063
|
BDBM50120278
O=C(CCn1c2c(c(=O)[nH]c1=O)CCCC2)NCC(=O)N1CCN(c2ncccn2)CC1
|
C21H27N7O4 441.492000 |
GOVHSKFWPFRYIM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120278; PubChem:CID44338066
|
Local ready
Direct docking supported
|
|
E3L046064
BDB046064
|
BDBM50120390
NCc1nc2sc3c(c2c(=O)[nH]1)CCC3
|
C10H11N3OS 221.285000 |
RFNGFSLYKOONPD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120390; PubChem:CID122189850
|
Local ready
Direct docking supported
|
|
E3L046065
BDB046065
|
BDBM50120391
CNCc1ccc(-c2cc3c4c(c[nH]c4c2)C(=O)NNC3=O)cc1
|
C18H16N4O2 320.352000 |
DKBLZGASANDIHM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120391; PubChem:CID122190535
|
Local ready
Direct docking supported
|
|
E3L046066
BDB046066
|
BDBM50120393
CCCCNCc1ccc(-c2cc3c4c(c[nH]c4c2)C(=O)NNC3=O)cc1
|
C21H22N4O2 362.433000 |
OBMAFOSIVNPHRQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120393; PubChem:CID122190538
|
Local ready
Direct docking supported
|
|
E3L046067
BDB046067
|
BDBM50120394
CC(C)NCc1ccc(-c2cc3c4c(c[nH]c4c2)C(=O)NNC3=O)cc1
|
C20H20N4O2 348.406000 |
ZQOZVYMUXRFTNB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120394; PubChem:CID122190537
|
Local ready
Direct docking supported
|
|
E3L046068
BDB046068
|
BDBM50120395
CCCNCc1ccc(-c2cc3c4c(c[nH]c4c2)C(=O)NNC3=O)cc1
|
C20H20N4O2 348.406000 |
CGZHCBPBPMDDBM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120395; PubChem:CID122190536
|
Local ready
Direct docking supported
|
|
E3L046069
BDB046069
|
BDBM50120396
CCCCNCc1ccc(-c2[nH]c3cc(F)cc4c3c2C(=O)NNC4=O)cc1
|
C21H21FN4O2 380.423000 |
JHKQQJFNVQMWOX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120396; PubChem:CID122190534
|
Local ready
Direct docking supported
|
|
E3L046070
BDB046070
|
BDBM50120397
CCCNCc1ccc(-c2[nH]c3cc(F)cc4c3c2C(=O)NNC4=O)cc1
|
C20H19FN4O2 366.396000 |
BWBCZUIOZISGAA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120397; PubChem:CID122190533
|
Local ready
Direct docking supported
|
|
E3L046071
BDB046071
|
BDBM50120398
CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2C(=O)NNC4=O)cc1
|
C18H15FN4O2 338.342000 |
HCDRGKUOZOZNLB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120398; PubChem:CID122190532
|
Local ready
Direct docking supported
|
|
E3L046072
BDB046072
|
BDBM50120399
CCCCNCc1ccc(-c2[nH]c3cccc4c3c2C(=O)NNC4=O)cc1
|
C21H22N4O2 362.433000 |
PYDPELONKUWGFG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120399; PubChem:CID122190531
|
Local ready
Direct docking supported
|
|
E3L046073
BDB046073
|
BDBM50120400
CC(C)NCc1ccc(-c2[nH]c3cccc4c3c2C(=O)NNC4=O)cc1
|
C20H20N4O2 348.406000 |
JKTIWQKWRMMZOA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120400; PubChem:CID122190530
|
Local ready
Direct docking supported
|
|
E3L046074
BDB046074
|
BDBM50120401
CNCc1ccc(-c2[nH]c3cccc4c3c2C(=O)NNC4=O)cc1
|
C18H16N4O2 320.352000 |
CWEDJXYOHUIUML-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120401; PubChem:CID122190528
|
Local ready
Direct docking supported
|
|
E3L046075
BDB046075
|
Acetyl sh-Heptapeptide-1
CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O
|
C36H49N7O18 867.819000 |
ZXBJGVKYUXGMIU-WYPAPEJYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50120418; PubChem:CID122190547
|
Local ready
Direct docking supported
|
|
E3L046076
BDB046076
|
BDBM50120421
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C(F)(F)F)[nH]c2=O)c(C)c1
|
C21H18F3N3O4S2 497.520000 |
XHKKCXMZBGDTIT-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50120421; PubChem:CID50744391
|
Local ready
Direct docking supported
|
|
E3L046077
BDB046077
|
BDBM50120422
COc1ccc(S(=O)(=O)Nc2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
|
C26H24N2O8S2 556.618000 |
NVQFDGYHTTZFJR-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50120422; PubChem:CID77461035
|
Local ready
Direct docking supported
|
|
E3L046078
BDB046078
|
BDBM50120700
O=C(Nc1ccccc1)c1[nH]c2cccc3c2c1CCNC3=O
|
C18H15N3O2 305.337000 |
QKNOJBQUFNZCJE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120700; PubChem:CID11833682
|
Local ready
Direct docking supported
|
|
E3L046079
BDB046079
|
BDBM50120701
CC(C)NC(=O)c1[nH]c2cccc3c2c1CCNC3=O
|
C15H17N3O2 271.320000 |
GTARMXPKNIBDGR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120701; PubChem:CID11129411
|
Local ready
Direct docking supported
|
|
E3L046080
BDB046080
|
BDBM50120702
O=C1NCCc2c(-c3ccc(C(F)(F)F)cc3)[nH]c3cccc1c23
|
C18H13F3N2O 330.309000 |
JOHFOLVKACFYBO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120702; PubChem:CID11078020
|
Local ready
Direct docking supported
|