| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011381
BDB011381
|
BDBM236431
COc1cn(C)c(=O)cc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cn(C)nc1C)C2=O
|
C27H28ClN5O3 506.006000 |
TUQRRXJNXXDIHC-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236431; PubChem:CID90016126
|
Local ready
Direct docking supported
|
|
E3L011382
BDB011382
|
BDBM236432
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(C#N)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
|
C29H28ClN7O3 558.042000 |
LXWPKTFVYXPXGO-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236432; PubChem:CID72206106
|
Local ready
Direct docking supported
|
|
E3L011383
BDB011383
|
BDBM236433
COc1ncc(-c2cc3c(n2C(C)C)[C@H](c2ccc(C#N)cc2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1
|
C28H25ClN6O4 544.999000 |
AMVOKCMSEMEARJ-QHCPKHFHSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236433; PubChem:CID90016016
|
Local ready
Direct docking supported
|
|
E3L011384
BDB011384
|
BDBM236434
COc1ncc(-c2cc3c(n2C(C)C)[C@@H](c2ccc(C#N)cc2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1
|
C28H25ClN6O4 544.999000 |
AMVOKCMSEMEARJ-HSZRJFAPSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236434; PubChem:CID90015528
|
Local ready
Direct docking supported
|
|
E3L011385
BDB011385
|
BDBM236435
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1c[nH]c(=O)c(Cl)c1)C2=O
|
C27H26Cl2N6O3 553.450000 |
QLTYTONTIBMGPM-QFIPXVFZSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236435; PubChem:CID90016039
|
Local ready
Direct docking supported
|
|
E3L011386
BDB011386
|
BDBM236436
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1c[nH]c(=O)c(Cl)c1)C2=O
|
C27H26Cl2N6O3 553.450000 |
QLTYTONTIBMGPM-JOCHJYFZSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236436; PubChem:CID90016177
|
Local ready
Direct docking supported
|
|
E3L011387
BDB011387
|
BDBM236437
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1)N(C1CCOCC1)C2=O
|
C28H32N6O3 500.603000 |
WFWTZNXJCNYUAQ-DEOSSOPVSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236437; PubChem:CID90015838
|
Local ready
Direct docking supported
|
|
E3L011388
BDB011388
|
BDBM236438
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1)N(C1CCOCC1)C2=O
|
C28H32N6O3 500.603000 |
WFWTZNXJCNYUAQ-XMMPIXPASA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236438; PubChem:CID90016053
|
Local ready
Direct docking supported
|
|
E3L011389
BDB011389
|
BDBM236439
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)c(F)c2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1
|
C27H24Cl2FN5O4 572.424000 |
UUJYUPBVANTWFC-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236439
|
Local ready
Direct docking supported
|
|
E3L011390
BDB011390
|
BDBM236440
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)c(F)c1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
|
C28H27Cl2FN6O3 585.467000 |
KWKSDFGERBEDIH-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236440; PubChem:CID90058458
|
Local ready
Direct docking supported
|
|
E3L011391
BDB011391
|
BDBM236441
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(C#N)c(F)c1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
|
C29H27ClFN7O3 576.032000 |
BLJOARFVSZHRRG-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236441
|
Local ready
Direct docking supported
|
|
E3L011392
BDB011392
|
BDBM236442
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(C#N)c(F)c2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1
|
C28H24ClFN6O4 562.989000 |
FIXFXNNSCCMJIC-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236442
|
Local ready
Direct docking supported
|
|
E3L011393
BDB011393
|
BDBM236443
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)c(F)c2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1
|
C27H24Cl2FN5O4 572.424000 |
SSZVBEVGRVJGSK-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236443
|
Local ready
Direct docking supported
|
|
E3L011394
BDB011394
|
BDBM236444
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)c(F)c1)N(c1cc(Cl)cn(C)c1=O)C2=O
|
C28H27Cl2FN6O3 585.467000 |
IBBCADJDJYCEKF-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236444; PubChem:CID90058387
|
Local ready
Direct docking supported
|
|
E3L011395
BDB011395
|
BDBM236445
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(C#N)c(F)c2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1
|
C28H24ClFN6O4 562.989000 |
ONYWYNWVPOSRNR-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236445
|
Local ready
Direct docking supported
|
|
E3L011396
BDB011396
|
BDBM236446
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(C#N)c(F)c1)N(c1cc(Cl)cn(C)c1=O)C2=O
|
C29H27ClFN7O3 576.032000 |
FDFURAKMSITJIF-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236446; PubChem:CID90058311
|
Local ready
Direct docking supported
|
|
E3L011397
BDB011397
|
BDBM236447
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(C#N)c(F)c2)N(c2cc(Cl)c[nH]c2=O)C3=O)c(OC)n1
|
C27H22ClFN6O4 548.962000 |
CVUUVHAYWBQSNU-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236447
|
Local ready
Direct docking supported
|
|
E3L011398
BDB011398
|
BDBM236448
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(C#N)c(F)c1)N(c1cc(Cl)c[nH]c1=O)C2=O
|
C28H25ClFN7O3 562.005000 |
UJPXDELIPFIVRI-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236448; PubChem:CID90015755
|
Local ready
Direct docking supported
|
|
E3L011399
BDB011399
|
BDBM236449
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)c(F)c2)N(c2cc(Cl)c[nH]c2=O)C3=O)c(OC)n1
|
C26H22Cl2FN5O4 558.397000 |
FPQXODWXDOVXLT-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236449; PubChem:CID90016456
|
Local ready
Direct docking supported
|
|
E3L011400
BDB011400
|
BDBM236450
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)c(F)c1)N(c1cc(Cl)c[nH]c1=O)C2=O
|
C27H25Cl2FN6O3 571.440000 |
ZPXHPYUSYJONRA-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236450; PubChem:CID90015469
|
Local ready
Direct docking supported
|