| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011541
BDB011541
|
BDBM237659
CCN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2cc(Br)cc3c2cnn3-c2ccccc2C#N)C1=O
|
C29H27BrN6O3 587.478000 |
OGWWABSRIAKEMM-MBSDFSHPSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237659; PubChem:CID90060741
|
Local ready
Direct docking supported
|
|
E3L011542
BDB011542
|
BDBM237660
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cccc3c2cc(C#N)n3-c2ccccc2C#N)c2ccccc2OC12CCOCC2
|
C34H32N6O4 588.668000 |
NOHIOXNNRUHMPA-WKRVVKTRSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237660; PubChem:CID90060642
|
Local ready
Direct docking supported
|
|
E3L011543
BDB011543
|
BDBM237661
CCN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cccc3c2cnn3-c2ccccc2C#N)c2ccccc2O[C@H]1C
|
C30H30N6O3 522.609000 |
QDXYUTXYOLYCMB-JVAKCPTJSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237661; PubChem:CID118586173
|
Local ready
Direct docking supported
|
|
E3L011544
BDB011544
|
BDBM237662
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cccc3c2cc(C#N)n3-c2ccccc2C#N)c2ccccc2SC1(C)C
|
C32H30N6O2S 562.699000 |
DECOJDQHNHTGTL-AFJIDDCJSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237662; PubChem:CID90060652
|
Local ready
Direct docking supported
|
|
E3L011545
BDB011545
|
BDBM237663
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cccc3c2cc(C#N)n3-c2ccccc2C#N)c2ccccc2O[C@H]1C
|
C31H28N6O3 532.604000 |
KHKFKZNJPUHKFA-SGHJWQDXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237663; PubChem:CID90060662
|
Local ready
Direct docking supported
|
|
E3L011546
BDB011546
|
BDBM237664
CCN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cccc3c2cc(C#N)n3-c2ccccc2C#N)c2ccccc2O[C@H]1C
|
C32H30N6O3 546.631000 |
INAYPXBFUPXVKY-LPBFERMMSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237664; PubChem:CID90060675
|
Local ready
Direct docking supported
|
|
E3L011547
BDB011547
|
BDBM237665
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cccc3c2cnn3-c2ccccc2C#N)c2ccc(Br)cc2OC12CCOCC2
|
C32H31BrN6O4 643.542000 |
WLCBYDQXWPRQBT-AFJIDDCJSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237665; PubChem:CID90060676
|
Local ready
Direct docking supported
|
|
E3L011548
BDB011548
|
BDBM237666
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2nn(-c3ccccc3C#N)c3ccccc23)c2ccc(C#N)cc2OC12CCOCC2
|
C33H31N7O4 589.656000 |
VHZOTCUSUQHZSC-URAOTHONSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237666; PubChem:CID73056597
|
Local ready
Direct docking supported
|
|
E3L011549
BDB011549
|
BDBM237667
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cccc3c2cnn3-c2ccc(C(=O)O)cc2C#N)c2ccccc2O[C@H]1C
|
C30H28N6O5 552.591000 |
UABHKXRZUPPGRI-VFUKXHBFSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237667; PubChem:CID90060674
|
Local ready
Direct docking supported
|
|
E3L011550
BDB011550
|
BDBM237668
CCNC(=O)c1ccc(-n2ncc3c(CN4C(=O)[C@@H](NC(=O)[C@H](C)NC)[C@H](C)Oc5ccccc54)cccc32)c(C#N)c1
|
C32H33N7O4 579.661000 |
OICHJWNMJNGMBK-SGHJWQDXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237668; PubChem:CID90060740
|
Local ready
Direct docking supported
|
|
E3L011551
BDB011551
|
BDBM237669
CC[C@H](NC)C(=O)N[C@H]1COc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C26H28BrN3O4 526.431000 |
ZABPEKQABCBHGI-SFTDATJTSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237669; PubChem:CID72943442
|
Local ready
Direct docking supported
|
|
E3L011552
BDB011552
|
BDBM237670
CC[C@H](NCCO)C(=O)N[C@H]1COc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C27H30BrN3O5 556.457000 |
QQUFUPCYPJPULX-VXKWHMMOSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237670; PubChem:CID73056601
|
Local ready
Direct docking supported
|
|
E3L011553
BDB011553
|
BDBM237671
CN[C@@H](C)C(=O)N[C@H]1C(=O)N(Cc2c(OC(F)F)ccc3ccccc23)c2ccccc2OC12CCOCC2
|
C29H31F2N3O5 539.579000 |
GKZPMFPKQMBXTM-BVZFJXPGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237671; PubChem:CID90060686
|
Local ready
Direct docking supported
|
|
E3L011554
BDB011554
|
BDBM237672
CN[C@@H](C)C(=O)N[C@H]1COc2c(F)cccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C25H25BrFN3O4 530.394000 |
RYQCPRFEDWNNIO-XOBRGWDASA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237672; PubChem:CID73056909
|
Local ready
Direct docking supported
|
|
E3L011555
BDB011555
|
BDBM237673
CN[C@@H](C)C(=O)N[C@H]1COc2c(cccc2C(F)(F)F)N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C26H25BrF3N3O4 580.401000 |
YBXQKLWFRGIZLS-XOBRGWDASA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237673; PubChem:CID73056911
|
Local ready
Direct docking supported
|
|
E3L011556
BDB011556
|
BDBM237674
CN[C@@H](C)C(=O)N[C@H]1COc2c(cccc2C(F)(F)F)N(Cc2c(C)ccc3ccccc23)C1=O
|
C26H26F3N3O3 485.506000 |
KRNCBQUHOCAEBO-KKSFZXQISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237674; PubChem:CID73056913
|
Local ready
Direct docking supported
|
|
E3L011557
BDB011557
|
BDBM237675
CN[C@@H](C)C(=O)N[C@H]1COc2c(cccc2C(F)(F)F)N(Cc2noc3ccccc23)C1=O
|
C22H21F3N4O4 462.428000 |
SXPQQRPNTHDMSC-LRDDRELGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237675; PubChem:CID73056915
|
Local ready
Direct docking supported
|
|
E3L011558
BDB011558
|
BDBM237676
CN[C@@H](C)C(=O)N[C@H]1COc2c(Br)cccc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C25H26BrN3O3 496.405000 |
XPHDLVAVZMWLKT-KKSFZXQISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237676; PubChem:CID73056917
|
Local ready
Direct docking supported
|
|
E3L011559
BDB011559
|
BDBM237677
CN[C@@H](C)C(=O)N[C@H]1COc2c(C)cccc2N(Cc2c(OC)ccc3cc(C)ccc23)C1=O
|
C27H31N3O4 461.562000 |
NTYSUSITGAPTCH-AVRDEDQJSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237677; PubChem:CID90060683
|
Local ready
Direct docking supported
|
|
E3L011560
BDB011560
|
BDBM237678
COc1ccc2cc(Br)ccc2c1CN1C(=O)[C@@H](NC(=O)[C@H](C)N)C2(CCOCC2)Oc2ccccc21
|
C28H30BrN3O5 568.468000 |
LPYCHTYQOLSQKX-SSOJOUAXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237678; PubChem:CID73057527
|
Local ready
Direct docking supported
|