| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003261
BDB003261
|
BDBM64794
COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(CCCOC(C)C)C=C2C1=O
|
C24H31NO7 445.512000 |
WEDNYZSWAYARFW-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM64794; PubChem:CID16745656
|
Local ready
Direct docking supported
|
|
E3L003262
BDB003262
|
BDBM64796
O=C(NC1(O)C(=O)c2ccccc2C1=O)c1ccc(C(F)(F)F)cc1
|
C17H10F3NO4 349.264000 |
MCLXGPFUHLXFEK-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM64796; PubChem:CID2732881
|
Local ready
Direct docking supported
|
|
E3L003263
BDB003263
|
BDBM64797
CCCOc1cc2c(C#N)c(N3CCCC3)nc(N)c2c(N)n1
|
C16H20N6O 312.377000 |
SFOWVXGRGNFIHI-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM64797; PubChem:CID11958363
|
Local ready
Direct docking supported
|
|
E3L003264
BDB003264
|
3H-Indol-3-one, 2-phenyl-, 1-oxide
O=C1C(c2ccccc2)=[N+]([O-])c2ccccc21
|
C14H9NO2 223.231000 |
WXFLHMJSSLDOPA-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM64800; PubChem:CID74787
|
Local ready
Direct docking supported
|
|
E3L003265
BDB003265
|
Papaveraldine
COc1ccc(C(=O)c2nccc3cc(OC)c(OC)cc23)cc1OC
|
C20H19NO5 353.374000 |
QJTBIAMBPGGIGI-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM64802; PubChem:CID96932
|
Local ready
Direct docking supported
|
|
E3L003266
BDB003266
|
BDBM65111
Cc1[nH]n(-c2ccccc2)c(=O)c1CN=Nc1nncc(-c2ccccc2)n1
|
C20H17N7O 371.404000 |
GXGZJFNYXXENSC-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM65111; PubChem:CID91897584
|
Local ready
Direct docking supported
|
|
E3L003267
BDB003267
|
BDBM65180
O=C(CN1CCCc2ccccc21)NN=Cc1c(O)ccc2ccccc12
|
C22H21N3O2 359.429000 |
ODYAWFDSDTWYKZ-UHFFFAOYSA-N | O15151, Q99728 | BRCA1-associated RING domain protein 1, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM65180; PubChem:CID1961960
|
Local ready
Direct docking supported
|
|
E3L003268
BDB003268
|
BDBM65465
Cc1ccc2nc(-c3ccc(NC(=S)NC4CC(C)(C)NC(C)(C)C4)cc3)sc2c1
|
C24H30N4S2 438.666000 |
ZMECXCUFCNSLRG-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM65465; PubChem:CID2483623
|
Local ready
Direct docking supported
|
|
E3L003269
BDB003269
|
BDBM65518
CC(=O)ON=C1C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc21
|
C17H11Cl3N2O3 397.645000 |
OPQRFPHLZZPCCH-UHFFFAOYSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM65518; PubChem:CID24906255
|
Local ready
Direct docking supported
|
|
E3L003270
BDB003270
|
(-)-Aricine
COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12
|
C22H26N2O4 382.460000 |
KXEMQEGRZWUKJS-RURTYGRKSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM65524; PubChem:CID72313
|
Local ready
Direct docking supported
|
|
E3L003271
BDB003271
|
Cgp-60474
OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1
|
C18H18ClN5O 355.829000 |
IYNDTACKOAXKBJ-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM65549; PubChem:CID644215
|
Local ready
Direct docking supported
|
|
E3L003272
BDB003272
|
BDBM65576
O=C1C([N+](=O)[O-])=CC=CC1/C=N/c1cccc2ccccc12
|
C17H12N2O3 292.294000 |
VJSJUYNSLDYXSM-WOJGMQOQSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM65576
|
Local ready
Direct docking supported
|
|
E3L003273
BDB003273
|
BDBM65630
[N]C([N])=NN=[C]c1ccc(N(c2ccccc2)c2ccccc2)cc1
|
C20H14N5 324.367000 |
BPBJKNJJBFEIIN-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM65630
|
Local ready
Direct docking supported
|
|
E3L003274
BDB003274
|
BDBM65983
Cc1nn2c(-c3ccncc3)nnc2c2ccccc12
|
C15H11N5 261.288000 |
OORANODXPOOSAC-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM65983; PubChem:CID1266914
|
Local ready
Direct docking supported
|
|
E3L003275
BDB003275
|
BDBM66019
[C][C][C@H]([C])[C]c1cn([C@@H]([C][C][C]N=C([N])[N])C(=O)[N][C][C][C][C][C][C][C][C][C][C]C(=O)N2[C][C]N(c3nc([N][C][C]O[C][C]O[C][C]O[C]C#C)nc(N4[C][C]N(C(=O)[C][C][C][C][C][C][C][C][C][C][N]C(=O)[C@H]([C][C][C][C][N])n5cc([C])nn5)[C][C]4)n3)[C][C]2)nn1
|
C64H6N20O7 1166.885000 |
QKYDGJLGUNEGHD-FGZCRSDWSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM66019
|
Local ready
Direct docking supported
|
|
E3L003276
BDB003276
|
BDBM66022
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(=O)O)n3cc(CCCCCN)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n3cc(C[C@@H](C)CC)nn3)CC2)n1
|
C67H116N18O9 1317.782000 |
IIKXNLYBHBNDTI-BFGZFBQASA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM66022
|
Local ready
Direct docking supported
|
|
E3L003277
BDB003277
|
BDBM66946
CN(C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1nc2ccc(F)cc2s1
|
C28H29FN4O3S2 552.697000 |
OKTMFRKTDSCKQO-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM66946; PubChem:CID24892080
|
Local ready
Direct docking supported
|
|
E3L003278
BDB003278
|
BDBM67000
Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCCCC1
|
C18H20Cl2N4O4S 459.355000 |
QLAXAMLCUOJCLU-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM67000; PubChem:CID3916178
|
Local ready
Direct docking supported
|
|
E3L003279
BDB003279
|
BDBM67079
COc1cc(F)c(-c2cnc(N3CCC[C@](N)([C@H](O)C(F)F)C3)c(Cn3cnc4c(N)ncnc43)c2)cc1F
|
C25H26F4N8O2 546.529000 |
VIAOKYCIKPUIMN-CJFMBICVSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM67079; PubChem:CID170347831
|
Local ready
Direct docking supported
|
|
E3L003280
BDB003280
|
BDBM67080
COc1cc(F)c(-c2ccc(N3CCC[C@](N)([C@H](O)C(F)F)C3)c(Cn3cnc4c(N)ncnc43)n2)cc1F
|
C25H26F4N8O2 546.529000 |
YJWGXCSFGGAOBS-PXDATVDWSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM67080; PubChem:CID170347839
|
Local ready
Direct docking supported
|