| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062361
BDB062361
|
CBP/p300-IN-17
COc1ccc(C2(C(=O)N3CCC[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1
|
C25H28N4O3 432.524000 |
KRGAGJKQQRBFEC-JOCHJYFZSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50600301; PubChem:CID142504112
|
Local ready
Direct docking supported
|
|
E3L062362
BDB062362
|
CBP/p300-IN-18
COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1
|
C25H27FN4O3 450.514000 |
FLUJAHQWJJQENP-VGOFRKELSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50600302; PubChem:CID163408981
|
Local ready
Direct docking supported
|
|
E3L062363
BDB062363
|
BDBM50600303
COc1ccc(C2(C(=O)N3C[C@@H](O)C[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1
|
C25H28N4O4 448.523000 |
UQKNCQXHKZNFDX-HTAPYJJXSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50600303; PubChem:CID168271390
|
Local ready
Direct docking supported
|
|
E3L062364
BDB062364
|
BDBM50600304
COc1ccc(C2(C(=O)N3C[C@H](O)C[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1
|
C25H28N4O4 448.523000 |
UQKNCQXHKZNFDX-VGOFRKELSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50600304; PubChem:CID142504079
|
Local ready
Direct docking supported
|
|
E3L062365
BDB062365
|
BDBM50600305
COc1ccc(C2(C(=O)N3CS(=O)(=O)C[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1
|
C24H26N4O5S 482.562000 |
VWZAAFMUYDNGED-OAQYLSRUSA-N | Q09472, Q92793, Q92831 | Histone acetyltransferase KAT2B, Histone acetyltransferase p300, CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50600305; PubChem:CID163196908
|
Local ready
Direct docking supported
|
|
E3L062366
BDB062366
|
BDBM50600338
CC(=O)NC(CCCCN)C(=O)NCCCCCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]1(C)CCCCCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O
|
C105H152N20O25 2094.486000 |
HRGYNFNFYVAQPD-SDCUFHLNSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50600338
|
Local ready
Direct docking supported
|
|
E3L062367
BDB062367
|
BDBM50600339
CC(=O)NC(CCCCNC(=O)c1cccc(I)c1)C(=O)NCCCCCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]1(C)CCCCCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O
|
C112H155IN20O26 2324.490000 |
WHYOETRHRJHBTG-IKXKSZOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50600339
|
Local ready
Direct docking supported
|
|
E3L062368
BDB062368
|
BDBM50600441
CCOP(=O)(OCC)C(Nc1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1)c1scnc1C
|
C25H29N6O3PS 524.587000 |
IOGOXIFSMAQQPS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50600441; PubChem:CID168276319
|
Local ready
Direct docking supported
|
|
E3L062369
BDB062369
|
BDBM50600442
CCOP(=O)(OCC)C(Nc1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1)c1ccn[nH]1
|
C24H28N7O3P 493.508000 |
IZQYRTPRXYJMAX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50600442; PubChem:CID168292170
|
Local ready
Direct docking supported
|
|
E3L062370
BDB062370
|
BDBM50600443
CCOP(=O)(OCC)C(Nc1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1)c1ccc[nH]1
|
C25H29N6O3P 492.520000 |
FYWIPSZJJOUPAR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50600443; PubChem:CID168272450
|
Local ready
Direct docking supported
|
|
E3L062371
BDB062371
|
BDBM50601182
COCCCOc1cc(CN(C(=O)[C@@H]2CCCNC2)C2CC2)ccc1OC
|
C21H32N2O4 376.497000 |
KJTANWCXDGQBBZ-QGZVFWFLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50601182; PubChem:CID168294246
|
Local ready
Direct docking supported
|
|
E3L062372
BDB062372
|
BDBM50601183
COCCCOc1cc(CN(C(=O)[C@H]2CCCNC2)C2CC2)ccc1OC
|
C21H32N2O4 376.497000 |
KJTANWCXDGQBBZ-KRWDZBQOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50601183; PubChem:CID67208452
|
Local ready
Direct docking supported
|
|
E3L062373
BDB062373
|
BDBM50601184
COCCCOc1cc(CN(C(=O)[C@@H]2CCNC2)C2CC2)ccc1OC
|
C20H30N2O4 362.470000 |
YXMKCWJEXYMJQU-MRXNPFEDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50601184; PubChem:CID168290925
|
Local ready
Direct docking supported
|
|
E3L062374
BDB062374
|
BDBM50601185
COCCCOc1cc(CN(C(=O)[C@H]2CCNC2)C2CC2)ccc1OC
|
C20H30N2O4 362.470000 |
YXMKCWJEXYMJQU-INIZCTEOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50601185; PubChem:CID168282667
|
Local ready
Direct docking supported
|
|
E3L062375
BDB062375
|
BDBM50601186
COCCCOc1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)ccc1OC
|
C20H30N2O5 378.469000 |
KZBIKFBHOIUTGI-LJQANCHMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50601186; PubChem:CID67541956
|
Local ready
Direct docking supported
|
|
E3L062376
BDB062376
|
BDBM50601187
COCCCOc1cc(CN(C(=O)[C@@H]2CNCCO2)C2CC2)ccc1OC
|
C20H30N2O5 378.469000 |
KZBIKFBHOIUTGI-IBGZPJMESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50601187; PubChem:CID168276193
|
Local ready
Direct docking supported
|
|
E3L062377
BDB062377
|
BDBM50601188
COCCCOc1cc(CN(C(=O)C2CNCCN2)C2CC2)ccc1OC
|
C20H31N3O4 377.485000 |
GSGUHXFRDKAYNF-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50601188; PubChem:CID168283528
|
Local ready
Direct docking supported
|
|
E3L062378
BDB062378
|
BDBM50601189
COCCCOc1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)cc2ccoc12
|
C21H28N2O5 388.464000 |
GGIYFKIWUMFKGU-LJQANCHMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50601189; PubChem:CID59494504
|
Local ready
Direct docking supported
|
|
E3L062379
BDB062379
|
BDBM50601190
COCCCn1ccc2ccc(CN(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C21H29N3O3 371.481000 |
OTFAWOGDENVOCF-HXUWFJFHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50601190; PubChem:CID25124583
|
Local ready
Direct docking supported
|
|
E3L062380
BDB062380
|
BDBM50601191
COCCCn1c(C)c(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2ccccc21
|
C22H31N3O3 385.508000 |
PUMYXWWVNYFWDQ-OAQYLSRUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50601191; PubChem:CID168271654
|
Local ready
Direct docking supported
|