| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054201
BDB054201
|
BDBM50365850
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCNCc1cccc(F)c1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
|
C37H46FN5O3 627.805000 |
FVAULEYZZJJPQP-MCWJOJKXSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50365850
|
Local ready
Direct docking supported
|
|
E3L054202
BDB054202
|
BDBM50365851
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCNCc1ccccc1F)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
|
C37H46FN5O3 627.805000 |
RINJWQDHHUYRSR-VMVDRLPDSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50365851
|
Local ready
Direct docking supported
|
|
E3L054203
BDB054203
|
BDBM50366114
CC(C)n1c2c(c3c1-c1ccccc1C3=O)C(=O)CCC2
|
C18H17NO2 279.339000 |
DGOKKNPUISUUGY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50366114; PubChem:CID24764502
|
Local ready
Direct docking supported
|
|
E3L054204
BDB054204
|
BDBM50366278
CCN(CC)C(=O)Cn1cc(CN2CCN(C)CC2)c2ccc(NC(=S)NCCc3c[nH]c4ccccc34)cc21
|
C31H41N7OS 559.784000 |
OYIIIGXQIFYAHT-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50366278; PubChem:CID145972675
|
Local ready
Direct docking supported
|
|
E3L054205
BDB054205
|
BDBM50366279
CN1CCN(Cc2cn(CC(=O)N3CCCCC3)c3cc(NC(=S)NCCc4c[nH]c5ccccc45)ccc23)CC1
|
C32H41N7OS 571.795000 |
MKDURIHAVNZYLM-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50366279; PubChem:CID145955890
|
Local ready
Direct docking supported
|
|
E3L054206
BDB054206
|
BDBM50366280
CCOC(=O)CNC(=O)Cn1cc(CN2CCN(C)CC2)c2ccc(NC(=S)NCCc3c[nH]c4ccccc34)cc21
|
C31H39N7O3S 589.766000 |
FABFCERJDWVNNE-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50366280; PubChem:CID145956734
|
Local ready
Direct docking supported
|
|
E3L054207
BDB054207
|
BDBM50366281
O=C(O)CNC(=O)Cn1ccc2ccc(NC(=S)NCCc3c[nH]c4ccccc34)cc21
|
C23H23N5O3S 449.536000 |
GOWQIHZCRGJRIM-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50366281; PubChem:CID145971457
|
Local ready
Direct docking supported
|
|
E3L054208
BDB054208
|
BDBM50366282
CC(C)NC(=O)Cn1cc(CN2CCN(C)CC2)c2ccc(NC(=S)NCCc3c[nH]c4ccccc34)cc21
|
C30H39N7OS 545.757000 |
DCSGGGDRUYCRAM-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50366282; PubChem:CID137551963
|
Local ready
Direct docking supported
|
|
E3L054209
BDB054209
|
BDBM50366283
CN1CCN(Cc2cn(CC(=O)N3CCN(C)CC3)c3cc(NC(=S)NCCc4c[nH]c5ccccc45)ccc23)CC1
|
C32H42N8OS 586.810000 |
YGDJAVKDMGRBNP-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50366283; PubChem:CID145974550
|
Local ready
Direct docking supported
|
|
E3L054210
BDB054210
|
BDBM50366284
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
|
C82H142N26O24 1876.196000 |
MQJWMJOEBDXBHH-QOHSINARSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50366284; PubChem:CID145953882
|
Local ready
Direct docking supported
|
|
E3L054211
BDB054211
|
BDBM50366285
COC(=O)Cn1cc(CN2CCN(C)CC2)c2ccc(NC(=S)NCCc3c[nH]c4ccccc34)cc21
|
C28H34N6O2S 518.687000 |
BHDWOYPWRVTSPF-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50366285; PubChem:CID145959063
|
Local ready
Direct docking supported
|
|
E3L054212
BDB054212
|
BDBM50366286
CN1CCN(Cc2cn(CC(=O)NCC(=O)O)c3cc(NC(=S)NCCc4c[nH]c5ccccc45)ccc23)CC1
|
C29H35N7O3S 561.712000 |
KMLZFEATWIVHLH-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50366286; PubChem:CID145953045
|
Local ready
Direct docking supported
|
|
E3L054213
BDB054213
|
N-(2-phenylethyl)-N'-pyridin-3-ylthiourea
S=C(NCCc1ccccc1)Nc1cccnc1
|
C14H15N3S 257.362000 |
VMCPIEORRRSZLR-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50366287; PubChem:CID2725474
|
Local ready
Direct docking supported
|
|
E3L054214
BDB054214
|
BDBM50366289
CN1CCN(Cc2cn(CC(=O)N3CCOCC3)c3cc(NC(=S)NCCc4c[nH]c5ccccc45)ccc23)CC1
|
C31H39N7O2S 573.767000 |
KSDJEFBPBCSCLA-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50366289; PubChem:CID135747590
|
Local ready
Direct docking supported
|
|
E3L054215
BDB054215
|
BDBM50366291
CC1CN(C(=O)Cn2cc(CN3CCN(C)CC3)c3ccc(NC(=S)NCCc4c[nH]c5ccccc45)cc32)CCO1
|
C32H41N7O2S 587.794000 |
AYQAPJBTCZCQCL-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50366291; PubChem:CID145950480
|
Local ready
Direct docking supported
|
|
E3L054216
BDB054216
|
BDBM50366297
C=C1[C@@H](O)CC[C@@]2(C)[C@H]1C[C@H]1C(=O)CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]3(C)CC[C@]24O[C@]143
|
C29H46O3 442.684000 |
CXAIOGJTEZTHPI-USINDFECSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50366297
|
Local ready
Direct docking supported
|
|
E3L054217
BDB054217
|
BDBM50366305
[C]C(=[C])[C@H]([C][C]=C([C])[C])[C][C@]12[C][C@H]([C][C]=C([C])[C])C([C])([C])[C@]([C][C]=C([C])[C])(C(=O)C(C(=O)c3ccc([O])c([O])c3)=C1[O])C2=O
|
C38H5O6 557.452000 |
DOANGWFJSCDBBT-AKAMJVKKSA-N | Q09472, Q92831 | Histone acetyltransferase p300, Histone acetyltransferase KAT2B |
BindingDB
BindingDB:BDBM50366305
|
Local ready
Direct docking supported
|
|
E3L054218
BDB054218
|
BDBM50366309
C=C1[C@@H](O)CC[C@@]2(C)[C@H]1C[C@]1(O)C(=O)CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]3(C)CC[C@]24O[C@@]413
|
C29H46O4 458.683000 |
SMXYJBQGYKOMBY-XYUYFOLPSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50366309
|
Local ready
Direct docking supported
|
|
E3L054219
BDB054219
|
BDBM50366313
C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CC1=C3[C@@H]2CC[C@]3(C)[C@@H]([C@H](C)CC[C@@H](C)C(C)C)CCC1=O
|
C29H46O2 426.685000 |
LMPCTOZUSBHCDD-RPYITFMVSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50366313; PubChem:CID145955376
|
Local ready
Direct docking supported
|
|
E3L054220
BDB054220
|
BDBM50366332
C=C1[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@]35O[C@]4([C@H](C)CC[C@@H](C)C(C)C)CCC(=O)[C@@H]5C[C@@H]12
|
C29H46O3 442.684000 |
LTKPGLGDCJUKLL-RMLMQOSZSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50366332
|
Local ready
Direct docking supported
|