| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045441
BDB045441
|
BDBM50078368
CN[C@@H](C)C(=O)N[C@H]1CCCCNC(=O)CCc2cn(nn2)CCOc2ccc(cc2)C[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O
|
C40H53N9O8 787.919000 |
QHLNFRFGSIKYFY-NQBDWGITSA-N | Q13489 | Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50078368
|
Local ready
Direct docking supported
|
|
E3L045442
BDB045442
|
BDBM50078369
CN[C@@H](C)C(=O)N[C@H]1CCCCNC(=O)CCc2cn(nn2)CCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O
|
C35H51N9O7 709.849000 |
BEVFZHLLLQNGJR-CPFNYCBMSA-N | Q13489 | Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50078369
|
Local ready
Direct docking supported
|
|
E3L045443
BDB045443
|
BDBM50078370
CN[C@@H](C)C(=O)N[C@H]1CCCCNC(=O)CCc2cn(nn2)CCN(CC(=O)O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O
|
C35H52N10O7 724.864000 |
KEQLPMFOYZJZKG-JSRHHAARSA-N | Q13489 | Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50078370
|
Local ready
Direct docking supported
|
|
E3L045444
BDB045444
|
BDBM50078371
CN[C@@H](C)C(=O)N[C@H]1Cc2ccc(cc2)OCc2cn(nn2)CCCOc2ccc(cc2)C[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O
|
C42H50N8O8 794.910000 |
XITPCGBUBFPITJ-WMENYLNASA-N | Q13489 | Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50078371
|
Local ready
Direct docking supported
|
|
E3L045445
BDB045445
|
BDBM50078372
CN[C@@H](C)C(=O)N[C@H]1Cc2ccc(cc2)OCc2cn(nn2)CCOc2ccc(cc2)C[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O
|
C41H48N8O8 780.883000 |
JFMKWLYRUWTMKW-PGWVRULESA-N | Q13489 | Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50078372
|
Local ready
Direct docking supported
|
|
E3L045446
BDB045446
|
Benzenesulfonanilide
O=S(=O)(Nc1ccccc1)c1ccccc1
|
C12H11NO2S 233.292000 |
XAUGWFWQVYXATQ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50078825; PubChem:CID74296
|
Local ready
Direct docking supported
|
|
E3L045447
BDB045447
|
Embelin
CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O
|
C17H26O4 294.391000 |
IRSFLDGTOHBADP-UHFFFAOYSA-N | P98170, Q92831 | E3 ubiquitin-protein ligase XIAP, Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50078850; PubChem:CID3218
|
Local ready
Direct docking supported
|
|
E3L045448
BDB045448
|
3-(1-Benzylpiperidin-4-yl)-1-phenylurea
O=C(Nc1ccccc1)NC1CCN(Cc2ccccc2)CC1
|
C19H23N3O 309.413000 |
FBRUCPZAISLOOV-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50079170; PubChem:CID4064342
|
Local ready
Direct docking supported
|
|
E3L045449
BDB045449
|
BDBM50079534
CN1CCC(NC(=O)c2ccc(Nc3ncc(Br)c(NC4CCCC4)n3)cc2)CC1
|
C22H29BrN6O 473.419000 |
CERFFPJDBQMQTN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50079534; PubChem:CID118734734
|
Local ready
Direct docking supported
|
|
E3L045450
BDB045450
|
BDBM50079535
COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(F)c(NC2CCCC2)n1
|
C23H31FN6O2 442.539000 |
FRAYTYRDTFKQRS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50079535; PubChem:CID118734736
|
Local ready
Direct docking supported
|
|
E3L045451
BDB045451
|
BDBM50079611
COc1cc(NC(=O)/C=C\C(=O)O)cc(C(N)=O)c1
|
C12H12N2O5 264.237000 |
ZUAZETGGBTXNJO-IHWYPQMZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50079611; PubChem:CID118732814
|
Local ready
Direct docking supported
|
|
E3L045452
BDB045452
|
3-[(3-Carbamoylphenyl)carbamoyl]propanoic acid
NC(=O)c1cccc(NC(=O)CCC(=O)O)c1
|
C11H12N2O4 236.227000 |
IQDYBIOBYSQBQY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50079612; PubChem:CID722008
|
Local ready
Direct docking supported
|
|
E3L045453
BDB045453
|
BDBM50079613
C/C(=C/C(=O)O)C(=O)Nc1cccc(C(N)=O)c1
|
C12H12N2O4 248.238000 |
LIPKKIQXIGUIAW-ALCCZGGFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50079613; PubChem:CID118732817
|
Local ready
Direct docking supported
|
|
E3L045454
BDB045454
|
BDBM50079614
C/C(=C/C(=O)Nc1cccc(C(N)=O)c1)C(=O)O
|
C12H12N2O4 248.238000 |
CTKOBEGVTXMWHC-ALCCZGGFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50079614; PubChem:CID118732818
|
Local ready
Direct docking supported
|
|
E3L045455
BDB045455
|
4-(3-Carbamoylanilino)-3-methoxy-4-oxobutanoic acid
COC(CC(=O)O)C(=O)Nc1cccc(C(N)=O)c1
|
C12H14N2O5 266.253000 |
SAHIBECKQDNWLQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50079615; PubChem:CID118732819
|
Local ready
Direct docking supported
|
|
E3L045456
BDB045456
|
4-(3-Carbamoylanilino)-2,2-dimethyl-4-oxobutanoic acid
CC(C)(CC(=O)Nc1cccc(C(N)=O)c1)C(=O)O
|
C13H16N2O4 264.281000 |
FFWRNUAXDISSJF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50079616; PubChem:CID64246802
|
Local ready
Direct docking supported
|
|
E3L045457
BDB045457
|
3-[(3-Oxocyclopentanecarbonyl)amino]benzamide
NC(=O)c1cccc(NC(=O)C2CCC(=O)C2)c1
|
C13H14N2O3 246.266000 |
NOUHDIGVTNVJLV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50079617; PubChem:CID118732828
|
Local ready
Direct docking supported
|
|
E3L045458
BDB045458
|
3-(5-Oxohexanoylamino)benzamide
CC(=O)CCCC(=O)Nc1cccc(C(N)=O)c1
|
C13H16N2O3 248.282000 |
HLJHJJBBTANZJT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50079618; PubChem:CID118732827
|
Local ready
Direct docking supported
|
|
E3L045459
BDB045459
|
3-(4-Oxopentanoylamino)benzamide
CC(=O)CCC(=O)Nc1cccc(C(N)=O)c1
|
C12H14N2O3 234.255000 |
LIBUWWGWCQPXRH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50079619; PubChem:CID60690891
|
Local ready
Direct docking supported
|
|
E3L045460
BDB045460
|
Artd10/parp10-IN-1
COC(=O)/C=C\C(=O)Nc1cccc(C(N)=O)c1
|
C12H12N2O4 248.238000 |
KXULAXICDCSUDZ-WAYWQWQTSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50079620; PubChem:CID118732826
|
Local ready
Direct docking supported
|