| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011421
BDB011421
|
BDBM236471
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)[C@H](c1ccc(Cl)c(F)c1)N(c1cc(Cl)c[nH]c1=O)C2=O
|
C27H25Cl2FN6O3 571.440000 |
ZPXHPYUSYJONRA-QFIPXVFZSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236471; PubChem:CID90015710
|
Local ready
Direct docking supported
|
|
E3L011422
BDB011422
|
BDBM236472
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)[C@@H](c1ccc(Cl)c(F)c1)N(c1cc(Cl)c[nH]c1=O)C2=O
|
C27H25Cl2FN6O3 571.440000 |
ZPXHPYUSYJONRA-JOCHJYFZSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236472; PubChem:CID90015539
|
Local ready
Direct docking supported
|
|
E3L011423
BDB011423
|
BDBM236473
COC[C@@H](C)n1c(-c2cnc(N)nc2OC)cc2c1[C@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O
|
C27H24Cl2FN5O3 556.425000 |
FGPTWTSRUGMJDE-FATZIPQQSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236473; PubChem:CID90015806
|
Local ready
Direct docking supported
|
|
E3L011424
BDB011424
|
BDBM236474
COC[C@@H](C)n1c(-c2cnc(N)nc2OC)cc2c1[C@@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O
|
C27H24Cl2FN5O3 556.425000 |
FGPTWTSRUGMJDE-QKFKETGDSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236474; PubChem:CID90015878
|
Local ready
Direct docking supported
|
|
E3L011425
BDB011425
|
BDBM236475
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(C#N)cc1)N(c1c(F)c(C)nn1C)C2=O
|
C28H29FN8O2 528.592000 |
QWPLMSVDELZPDN-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236475; PubChem:CID90015500
|
Local ready
Direct docking supported
|
|
E3L011426
BDB011426
|
BDBM236476
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
|
C29H28ClN7O3 558.042000 |
LXWPKTFVYXPXGO-DEOSSOPVSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236476; PubChem:CID90016250
|
Local ready
Direct docking supported
|
|
E3L011427
BDB011427
|
BDBM236477
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
|
C29H28ClN7O3 558.042000 |
LXWPKTFVYXPXGO-XMMPIXPASA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236477; PubChem:CID90015714
|
Local ready
Direct docking supported
|
|
E3L011428
BDB011428
|
BDBM236478
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cn1)N(c1cccc(Cl)c1F)C2=O
|
C27H25Cl2FN6O2 555.441000 |
MPTBXFFUCNMTKA-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236478; PubChem:CID86703240
|
Local ready
Direct docking supported
|
|
E3L011429
BDB011429
|
BDBM236479
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cn2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1
|
C27H25Cl2N5O3 538.435000 |
HVCBSSBUIPONLC-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236479; PubChem:CID90058341
|
Local ready
Direct docking supported
|
|
E3L011430
BDB011430
|
BDBM236480
COc1ncncc1-c1cc2c(n1C(C)C)C(c1ccc(C#N)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
|
C27H23ClN6O3 514.973000 |
GKIWBJRVFITOEZ-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236480; PubChem:CID90016026
|
Local ready
Direct docking supported
|
|
E3L011431
BDB011431
|
BDBM236481
COc1ncc(-c2cc3c(n2C(C)C)[C@H](c2ccc(C#N)c(F)c2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1
|
C28H24ClFN6O4 562.989000 |
FIXFXNNSCCMJIC-QHCPKHFHSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236481; PubChem:CID90015862
|
Local ready
Direct docking supported
|
|
E3L011432
BDB011432
|
BDBM236482
COc1ncc(-c2cc3c(n2C(C)C)[C@@H](c2ccc(C#N)c(F)c2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1
|
C28H24ClFN6O4 562.989000 |
FIXFXNNSCCMJIC-HSZRJFAPSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236482; PubChem:CID90016302
|
Local ready
Direct docking supported
|
|
E3L011433
BDB011433
|
BDBM236483
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2cc(C)cn(C)c2=O)C3=O)c(OC)n1
|
C28H28ClN5O4 534.016000 |
XDFAMIIGZNGFSG-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236483; PubChem:CID90058254
|
Local ready
Direct docking supported
|
|
E3L011434
BDB011434
|
BDBM236484
COc1ncc(-c2cc3c(n2C2CC2)C(c2ccc(Cl)cc2)N(c2cc(C)c(=O)n(C)c2)C3=O)c(OC)n1
|
C28H26ClN5O4 532.000000 |
OLPKXDUPEZNXEA-UHFFFAOYSA-N | O15151, Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236484; PubChem:CID90058444
|
Local ready
Direct docking supported
|
|
E3L011435
BDB011435
|
BDBM236485
COc1ncc(-c2cc3c(n2C2CC2)C(c2ccc(Cl)cc2)N(c2cc(C)c(=O)n(C)c2)C3=O)cn1
|
C27H24ClN5O3 501.974000 |
XCDMZCXVXUNWIF-UHFFFAOYSA-N | O15151, Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236485; PubChem:CID90058343
|
Local ready
Direct docking supported
|
|
E3L011436
BDB011436
|
BDBM236486
Cc1cc(N2C(=O)c3cc(-c4ccn(C)c(=O)c4)n(C4CC4)c3C2c2ccc(Cl)cc2)cn(C)c1=O
|
C28H25ClN4O3 500.986000 |
IRTOHFGPHMCDRK-UHFFFAOYSA-N | O15151, Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236486; PubChem:CID90058342
|
Local ready
Direct docking supported
|
|
E3L011437
BDB011437
|
BDBM236557
Nc1ccc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
|
C22H13F3N6O2 450.380000 |
OIOOKLQHEDGJOE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM236557; PubChem:CID73332620
|
Local ready
Direct docking supported
|
|
E3L011438
BDB011438
|
BDBM237555
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC12CCCCC2
|
C30H34BrN3O4 580.523000 |
NPXQPTQRHDMBAF-UZTOHYMASA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237555; PubChem:CID73056304
|
Local ready
Direct docking supported
|
|
E3L011439
BDB011439
|
BDBM237556
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC1(C)C
|
C27H30BrN3O4 540.458000 |
AIFKERXJRHIYEU-UPCLLVRISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237556; PubChem:CID118586169
|
Local ready
Direct docking supported
|
|
E3L011440
BDB011440
|
BDBM237557
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC12CCNCC2
|
C29H33BrN4O4 581.511000 |
LLTJNOCLVXIVKU-HFJWLAOPSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237557; PubChem:CID118586226
|
Local ready
Direct docking supported
|