| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011261
BDB011261
|
BDBM236311
CNC(=O)c1ccc(OC)c(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N([C@H]2CC[C@H](O)CC2)C3=O)c1
|
C30H34ClN3O4 536.072000 |
QVPYTXBSLHYXGK-INCBEPGWSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236311
|
Local ready
Direct docking supported
|
|
E3L011262
BDB011262
|
BDBM236312
COc1ccc(C(=O)O)cc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N([C@H]1CC[C@H](O)CC1)C2=O
|
C29H31ClN2O5 523.029000 |
GURPQWNCJZANIK-YOQWSDCESA-N | O15151, Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236312
|
Local ready
Direct docking supported
|
|
E3L011263
BDB011263
|
BDBM236313
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N([C@H]2CC[C@H](O)CC2)C3=O)c(OC)n1
|
C27H31ClN4O4 511.022000 |
WIGIFXMDHPZEEJ-CIQKOQMRSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236313
|
Local ready
Direct docking supported
|
|
E3L011264
BDB011264
|
BDBM236314
COc1ccc(C#N)cc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N([C@H]1CC[C@H](O)CC1)C2=O
|
C29H30ClN3O3 504.030000 |
AYGHMHFKSMKVAK-INCBEPGWSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236314
|
Local ready
Direct docking supported
|
|
E3L011265
BDB011265
|
BDBM236315
COc1nc(N)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N([C@H]1CC[C@H](O)CC1)C2=O
|
C26H30ClN5O3 496.011000 |
DKZAVKJTJZOTNQ-IQHDZCMKSA-N | O15151, Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236315
|
Local ready
Direct docking supported
|
|
E3L011266
BDB011266
|
BDBM236316
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N([C@H]1CC[C@H](O)CC1)C2=O
|
C28H34ClN5O3 524.065000 |
RTAFRPOIUHCUMY-OPYUEGPBSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236316
|
Local ready
Direct docking supported
|
|
E3L011267
BDB011267
|
BDBM236317
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1
|
C27H25Cl2N5O4 554.434000 |
KNQQFNGEUDEPOZ-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236317; PubChem:CID72205158
|
Local ready
Direct docking supported
|
|
E3L011268
BDB011268
|
BDBM236318
COc1nc(N)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O
|
C26H24Cl2N6O3 539.423000 |
FFMAOIYFWDTUHY-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236318; PubChem:CID90058384
|
Local ready
Direct docking supported
|
|
E3L011269
BDB011269
|
BDBM236319
CNc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1
|
C27H26Cl2N6O3 553.450000 |
QGUKKTWTDCCJQM-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236319; PubChem:CID90015603
|
Local ready
Direct docking supported
|
|
E3L011270
BDB011270
|
BDBM236320
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O
|
C28H28Cl2N6O3 567.477000 |
UWBRSLULKRVRMT-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236320; PubChem:CID90058385
|
Local ready
Direct docking supported
|
|
E3L011271
BDB011271
|
BDBM236321
COc1ccccc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(C1CCOCC1)C2=O
|
C27H29ClN2O3 464.993000 |
CHQPSERGPFMVBZ-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236321; PubChem:CID72205159
|
Local ready
Direct docking supported
|
|
E3L011272
BDB011272
|
BDBM236322
CNC(=O)c1ccc(OC)c(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(C2CCOCC2)C3=O)c1
|
C29H32ClN3O4 522.045000 |
HQBBVDYAGQBRER-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236322; PubChem:CID72205160
|
Local ready
Direct docking supported
|
|
E3L011273
BDB011273
|
BDBM236323
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(C2CCOCC2)C3=O)c(OC)n1
|
C26H29ClN4O4 496.995000 |
FHLPGBPCEZAARR-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236323; PubChem:CID72205161
|
Local ready
Direct docking supported
|
|
E3L011274
BDB011274
|
BDBM236324
COc1ccc(C#N)cc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(C1CCOCC1)C2=O
|
C28H28ClN3O3 490.003000 |
RDPVPQKEQQLYDA-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236324; PubChem:CID90016303
|
Local ready
Direct docking supported
|
|
E3L011275
BDB011275
|
BDBM236325
COc1nc(N)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(C1CCOCC1)C2=O
|
C25H28ClN5O3 481.984000 |
MUUZZGAMDJCACC-UHFFFAOYSA-N | O15151, Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236325; PubChem:CID90058437
|
Local ready
Direct docking supported
|
|
E3L011276
BDB011276
|
BDBM236326
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(C1CCOCC1)C2=O
|
C27H32ClN5O3 510.038000 |
HHYGXPAFFFIANZ-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236326; PubChem:CID72205347
|
Local ready
Direct docking supported
|
|
E3L011277
BDB011277
|
BDBM236327
COc1ccc(CC(N)=O)cc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O
|
C31H29Cl2N3O3 562.497000 |
WWHWAAJKQGGHIK-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236327; PubChem:CID72205348
|
Local ready
Direct docking supported
|
|
E3L011278
BDB011278
|
BDBM236328
CNC(=O)Cc1ccc(OC)c(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c1
|
C32H31Cl2N3O3 576.524000 |
MVNVEOWYICDPQA-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236328; PubChem:CID90058436
|
Local ready
Direct docking supported
|
|
E3L011279
BDB011279
|
BDBM236329
COc1ccc(CC(=O)N(C)C)cc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O
|
C33H33Cl2N3O3 590.551000 |
UWYJVUIKLPQQIR-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236329; PubChem:CID90058449
|
Local ready
Direct docking supported
|
|
E3L011280
BDB011280
|
BDBM236330
CCOC(=O)Cc1cnc(OC)c(-c2cc3c(n2C(C)C)C(c2ccc(C#N)cc2)N(c2cccc(Cl)c2F)C3=O)c1
|
C32H28ClFN4O4 587.051000 |
HPAAKFMELHCBPC-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236330; PubChem:CID90015763
|
Local ready
Direct docking supported
|