| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054821
BDB054821
|
BDBM50387944
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2ccccn2)CC1
|
C24H25FN6O2 448.502000 |
MRVGWOBRIRYOAG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387944; PubChem:CID25117637
|
Local ready
Direct docking supported
|
|
E3L054822
BDB054822
|
BDBM50387945
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2cnccn2)CC1
|
C23H24FN7O2 449.490000 |
YPTKEKWQKTUVGP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387945; PubChem:CID25122607
|
Local ready
Direct docking supported
|
|
E3L054823
BDB054823
|
BDBM50387946
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2ncccn2)CC1
|
C23H24FN7O2 449.490000 |
ZSUOWOIPJBDJFM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387946; PubChem:CID25122977
|
Local ready
Direct docking supported
|
|
E3L054824
BDB054824
|
BDBM50387947
CCNC(=O)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C17H19FN4O2 330.363000 |
LKMJEBNXTOUPSB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387947; PubChem:CID25002931
|
Local ready
Direct docking supported
|
|
E3L054825
BDB054825
|
BDBM50387948
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2cccnc2)CC1
|
C24H25FN6O2 448.502000 |
GCRQDGOVBJEVCT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387948; PubChem:CID25120129
|
Local ready
Direct docking supported
|
|
E3L054826
BDB054826
|
BDBM50388005
O=C1NC(=S)NC1=Cc1c[nH]c2ccccc12
|
C12H9N3OS 243.291000 |
TZKUYIZWDAKOCL-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB
BindingDB:BDBM50388005
|
Local ready
Direct docking supported
|
|
E3L054827
BDB054827
|
TC Lpa5 4
COc1cccc(-n2nc(C(=O)O)cc2-c2ccc(C3CCCCC3)c(Cl)c2)c1
|
C23H23ClN2O3 410.901000 |
BNALUYKEGYUHQC-UHFFFAOYSA-N | O96028, Q96L73, Q9BZ95 | Histone-lysine N-methyltransferase, H3 lysine-36 specific, Histone-lysine N-methyltransferase NSD3, Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50388091; PubChem:CID66552906
|
Local ready
Direct docking supported
|
|
E3L054828
BDB054828
|
BDBM50388626
CC[C@@H]([C@H](C)O)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C25H29Cl2NO4 478.416000 |
YUALYRLIFVPOHL-VPLUBSIMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50388626; PubChem:CID56965957
|
Local ready
Direct docking supported
|
|
E3L054829
BDB054829
|
BDBM50388968
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1)C1CCCCC1
|
C31H42N4O3 518.702000 |
FDYCYWOLTSESDK-FAQZDJIUSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50388968; PubChem:CID57522925
|
Local ready
Direct docking supported
|
|
E3L054830
BDB054830
|
BDBM50388969
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1)C(C)C
|
C28H38N4O3 478.637000 |
JONNIXCNDNCDHK-OPXMRZJTSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50388969; PubChem:CID57522798
|
Local ready
Direct docking supported
|
|
E3L054831
BDB054831
|
BDBM50388970
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CSC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1)C1CCCCC1
|
C30H40N4O3S 536.742000 |
VKVITVHQCQZPNY-PUUVEUEGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50388970; PubChem:CID57522799
|
Local ready
Direct docking supported
|
|
E3L054832
BDB054832
|
BDBM50388971
CC(C)[C@H](NC(=O)[C@H](C)NCC1CC1)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1
|
C31H42N4O3 518.702000 |
SDUJONKIPUMXGG-FAQZDJIUSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50388971; PubChem:CID57522923
|
Local ready
Direct docking supported
|
|
E3L054833
BDB054833
|
BDBM50388972
CC(C)[C@H](NC(=O)[C@H](C)NC[C@H](O)CO)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1
|
C30H42N4O5 538.689000 |
CULLTURVHZXDJG-OIMINJBOSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50388972; PubChem:CID57522924
|
Local ready
Direct docking supported
|
|
E3L054834
BDB054834
|
Me-Ala-Chg-Pro-NHBn(4-Cl)
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(Cl)cc1)C1CCCCC1
|
C24H35ClN4O3 463.022000 |
MNWPVYOXWIATDM-NDXORKPFSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50388973; PubChem:CID57522926
|
Local ready
Direct docking supported
|
|
E3L054835
BDB054835
|
BDBM50388974
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)c1ccccc1
|
C25H28N6O3S 492.605000 |
YMBRHCWKLURLLM-LRQRDZAKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50388974; PubChem:CID57522797
|
Local ready
Direct docking supported
|
|
E3L054836
BDB054836
|
BDBM50389078
COC[C@H]1COc2ccc(-c3nnc(SCc4ccc(-c5ccccc5C#N)cc4)o3)cc2O1
|
C26H21N3O4S 471.538000 |
BDRSCIWOUKYOAH-NRFANRHFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389078; PubChem:CID57523095
|
Local ready
Direct docking supported
|
|
E3L054837
BDB054837
|
BDBM50389079
N#Cc1cc(F)ccc1-c1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1
|
C23H14FN3O3S 431.448000 |
AYPKOBSJMAUBFQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389079; PubChem:CID57522817
|
Local ready
Direct docking supported
|
|
E3L054838
BDB054838
|
BDBM50389080
N#Cc1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)cc1
|
C23H15N3O3S 413.458000 |
BRBGAJDUHBVSLV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389080; PubChem:CID57522818
|
Local ready
Direct docking supported
|
|
E3L054839
BDB054839
|
BDBM50389081
N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1
|
C24H17N3O3S 427.485000 |
DDVZOQBOMNLWSS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389081; PubChem:CID57522819
|
Local ready
Direct docking supported
|
|
E3L054840
BDB054840
|
BDBM50389082
N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccncc3)o2)cc1
|
C21H14N4OS 370.437000 |
MBDKLKUFQIFGCR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389082; PubChem:CID30291292
|
Local ready
Direct docking supported
|