| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011321
BDB011321
|
BDBM236371
CNc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2cc(Cl)c[nH]c2=O)C3=O)c(OC)n1
|
C26H24Cl2N6O3 539.423000 |
AIAHKMZLMBDZSR-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236371; PubChem:CID72205730
|
Local ready
Direct docking supported
|
|
E3L011322
BDB011322
|
BDBM236372
COc1nc(N)ncc1-c1cc2c(n1C(C)C)C(c1ccc(C#N)cc1)N(c1cc(Cl)c[nH]c1=O)C2=O
|
C26H22ClN7O3 515.961000 |
BQOVCZLIKRCFMV-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236372; PubChem:CID86703199
|
Local ready
Direct docking supported
|
|
E3L011323
BDB011323
|
BDBM236373
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(C#N)cc2)N(c2cc(Cl)c[nH]c2=O)C3=O)c(OC)n1
|
C27H23ClN6O4 530.972000 |
XTAZIILNJPYNBS-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236373; PubChem:CID90016259
|
Local ready
Direct docking supported
|
|
E3L011324
BDB011324
|
BDBM236374
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(C#N)cc1)N(c1cc(Cl)c[nH]c1=O)C2=O
|
C28H26ClN7O3 544.015000 |
MBCRUKORVFBRLW-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236374; PubChem:CID90016009
|
Local ready
Direct docking supported
|
|
E3L011325
BDB011325
|
BDBM236375
CNc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(C#N)cc2)N(c2cc(Cl)c[nH]c2=O)C3=O)c(OC)n1
|
C27H24ClN7O3 529.988000 |
BIRUIDHXIILMDB-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236375; PubChem:CID90015864
|
Local ready
Direct docking supported
|
|
E3L011326
BDB011326
|
BDBM236376
COc1nc(N)ncc1-c1cc2c(n1C(C)C)C(c1ccc(C#N)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O
|
C27H24ClN7O3 529.988000 |
VFRZUQFKLVXGLO-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236376; PubChem:CID90016120
|
Local ready
Direct docking supported
|
|
E3L011327
BDB011327
|
BDBM236377
CNc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(C#N)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1
|
C28H26ClN7O3 544.015000 |
QKOFNLDIMVQPMB-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236377; PubChem:CID90015750
|
Local ready
Direct docking supported
|
|
E3L011328
BDB011328
|
BDBM236378
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(C#N)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O
|
C29H28ClN7O3 558.042000 |
QRFBPSWAPVZXHQ-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236378; PubChem:CID72205731
|
Local ready
Direct docking supported
|
|
E3L011329
BDB011329
|
BDBM236379
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(C#N)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1
|
C28H25ClN6O4 544.999000 |
BTRWWPFRLVLFAI-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236379; PubChem:CID72205732
|
Local ready
Direct docking supported
|
|
E3L011330
BDB011330
|
BDBM236380
CNc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(C#N)cc2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1
|
C28H26ClN7O3 544.015000 |
QQLGWDCSGRNUFW-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236380
|
Local ready
Direct docking supported
|
|
E3L011331
BDB011331
|
BDBM236381
COc1nc(N)ncc1-c1cc2c(n1C(C)C)C(c1ccc(C#N)cc1)N(c1c[nH]c(=O)c(Cl)c1)C2=O
|
C26H22ClN7O3 515.961000 |
DICXGXCOOQDAHS-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236381; PubChem:CID72205926
|
Local ready
Direct docking supported
|
|
E3L011332
BDB011332
|
BDBM236382
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(C#N)cc2)N(c2c[nH]c(=O)c(Cl)c2)C3=O)c(OC)n1
|
C27H23ClN6O4 530.972000 |
NIMGHWDAHLRYOC-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236382; PubChem:CID72205927
|
Local ready
Direct docking supported
|
|
E3L011333
BDB011333
|
BDBM236383
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(C#N)cc1)N(c1c[nH]c(=O)c(Cl)c1)C2=O
|
C28H26ClN7O3 544.015000 |
NSVAVIHHMMLAIR-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236383; PubChem:CID72205928
|
Local ready
Direct docking supported
|
|
E3L011334
BDB011334
|
BDBM236384
CNc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(C#N)cc2)N(c2c[nH]c(=O)c(Cl)c2)C3=O)c(OC)n1
|
C27H24ClN7O3 529.988000 |
YYGAPUHEYRIFSS-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236384; PubChem:CID90015807
|
Local ready
Direct docking supported
|
|
E3L011335
BDB011335
|
BDBM236385
COc1nc(N)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1c[nH]c(=O)c(Cl)c1)C2=O
|
C25H22Cl2N6O3 525.396000 |
YMDJIUXSNMFBNK-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236385; PubChem:CID90058453
|
Local ready
Direct docking supported
|
|
E3L011336
BDB011336
|
BDBM236386
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2c[nH]c(=O)c(Cl)c2)C3=O)c(OC)n1
|
C26H23Cl2N5O4 540.407000 |
XJJVAAUVEMQMLB-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236386; PubChem:CID72205929
|
Local ready
Direct docking supported
|
|
E3L011337
BDB011337
|
BDBM236387
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1c[nH]c(=O)c(Cl)c1)C2=O
|
C27H26Cl2N6O3 553.450000 |
QLTYTONTIBMGPM-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236387; PubChem:CID90016293
|
Local ready
Direct docking supported
|
|
E3L011338
BDB011338
|
BDBM236388
COc1nc(N)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N([C@H]1CC[C@H](OC)CC1)C2=O
|
C27H32ClN5O3 510.038000 |
SMIIJGLUXLTXPE-CIQKOQMRSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236388
|
Local ready
Direct docking supported
|
|
E3L011339
BDB011339
|
BDBM236389
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N([C@H]1CC[C@H](OC)CC1)C2=O
|
C29H36ClN5O3 538.092000 |
AKRFVBQMRAEMIE-FPCUACJBSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236389
|
Local ready
Direct docking supported
|
|
E3L011340
BDB011340
|
BDBM236390
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N([C@H]2CC[C@H](OC)CC2)C3=O)c(OC)n1
|
C28H33ClN4O4 525.049000 |
IPENFCPRNDWIGT-OPYUEGPBSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236390
|
Local ready
Direct docking supported
|