| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063081
BDB063081
|
BDBM50611330
CCO/C=N/C1=C(C#N)C(c2cccs2)c2c([nH]c(=O)[nH]c2=O)O1
|
C15H12N4O4S 344.352000 |
MUJQVRCTRYGJMD-REZTVBANSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50611330; PubChem:CID171343036
|
Local ready
Direct docking supported
|
|
E3L063082
BDB063082
|
BDBM50611349
Cc1ncsc1-c1ccc2c(c1)OCCOCCOC[C@@H](NC(=O)C[C@H]1N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc31)COCCOCCOCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NC2
|
C54H68ClN9O11S2 1118.777000 |
GMEHQGWGMMKWAX-NGMXXZSUSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB
BindingDB:BDBM50611349
|
Local ready
Direct docking supported
|
|
E3L063083
BDB063083
|
BDBM50611422
Cn1cc(Br)cc1C(=O)NC[C@@H]1[C@@H](CNC(=O)c2ccc(Br)[nH]2)CC2N=C(N)NC2[C@H]1c1c[nH]c(N)n1
|
C23H28Br2N10O2 636.353000 |
ILGXOKKVNYCADF-CKFRAZHBSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50611422
|
Local ready
Direct docking supported
|
|
E3L063084
BDB063084
|
BDBM50611423
Cn1c(Br)ccc1C(=O)NC[C@H]1CC2N=C(N)NC2[C@@H](c2c[nH]c(N)n2)[C@@H]1CNC(=O)c1cc(Br)c[nH]1
|
C23H28Br2N10O2 636.353000 |
AYYYGOTXIBTRRU-YAVSXTQASA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50611423
|
Local ready
Direct docking supported
|
|
E3L063085
BDB063085
|
BDBM50611424
Cn1cc(Br)cc1C(=O)NC[C@H]1CC2N=C(N)NC2[C@@H](c2c[nH]c(N)n2)[C@@H]1CNC(=O)c1cc(Br)c[nH]1
|
C23H28Br2N10O2 636.353000 |
VIUNKMUOKHJWKD-ANUTTWNQSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50611424
|
Local ready
Direct docking supported
|
|
E3L063086
BDB063086
|
BDBM50611425
Cn1cccc1C(=O)NC[C@H]1CC2N=C(N)NC2[C@@H](c2c[nH]c(N)n2)[C@@H]1CNC(=O)c1cc(Br)c(Br)n1C
|
C24H30Br2N10O2 650.380000 |
JTXKGAOLVQSFSM-PMKPFYNHSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50611425
|
Local ready
Direct docking supported
|
|
E3L063087
BDB063087
|
BDBM50611426
Cn1cc(Br)cc1C(=O)NC[C@H]1CC2N=C(N)NC2[C@@H](c2c[nH]c(N)n2)[C@@H]1CNC(=O)c1cc(Br)cn1C
|
C24H30Br2N10O2 650.380000 |
HZYQVLLGFVSBRU-GGNBWVDQSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50611426
|
Local ready
Direct docking supported
|
|
E3L063088
BDB063088
|
BDBM50611427
Cn1cc(Br)cc1C(=O)NC[C@H]1CC2N=C(N)NC2[C@@H](c2c[nH]c(N)n2)[C@@H]1CNC(=O)c1cc(Br)c(Br)[nH]1
|
C23H27Br3N10O2 715.249000 |
WGWZGNLGXNONMX-PBAWDLSSSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50611427
|
Local ready
Direct docking supported
|
|
E3L063089
BDB063089
|
BDBM50611428
Cn1c(C(=O)NC[C@H]2CC3N=C(N)NC3[C@@H](c3c[nH]c(N)n3)[C@@H]2CNC(=O)c2cc(Br)c[nH]2)cc(Br)c1Br
|
C23H27Br3N10O2 715.249000 |
NOOCMNMQARFFEM-PBAWDLSSSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50611428
|
Local ready
Direct docking supported
|
|
E3L063090
BDB063090
|
BDBM50611755
C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1n1ccc2cnc3[nH]ccc3c21
|
C18H19N5O 321.384000 |
UQVAOELSLJXOMB-DOMZBBRYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50611755; PubChem:CID49779405
|
Local ready
Direct docking supported
|
|
E3L063091
BDB063091
|
BDBM50611758
C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1n1ccc2cnc3[nH]cc(C#N)c3c21
|
C19H18N6O 346.394000 |
PFZVRMSUBHGEID-DOMZBBRYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50611758; PubChem:CID49779409
|
Local ready
Direct docking supported
|
|
E3L063092
BDB063092
|
(3E,4S,5S)-3-butylidene-4-hydroxy-5-methyloxolan-2-one
CCC/C=C1/C(=O)O[C@@H](C)[C@H]1O
|
C9H14O3 170.208000 |
WQLMRKLWOQAVAU-MGRRSFKLSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50611927; PubChem:CID142746547
|
Local ready
Direct docking supported
|
|
E3L063093
BDB063093
|
BDBM50611928
CCCCCCCCCCCCC/C=C1/C(=O)O[C@@H](C)[C@H]1O
|
C19H34O3 310.478000 |
KBHLNNQHHPFDSG-DBTFZPMKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50611928; PubChem:CID11301366
|
Local ready
Direct docking supported
|
|
E3L063094
BDB063094
|
(3E,4R,5S)-3-butylidene-4-hydroxy-5-methyloxolan-2-one
CCC/C=C1/C(=O)O[C@@H](C)[C@@H]1O
|
C9H14O3 170.208000 |
WQLMRKLWOQAVAU-MMIQFEHNSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50611929; PubChem:CID171349158
|
Local ready
Direct docking supported
|
|
E3L063095
BDB063095
|
BDBM50611930
CCCCCCCCCCCCC/C=C1/C(=O)O[C@@H](C)[C@@H]1O
|
C19H34O3 310.478000 |
KBHLNNQHHPFDSG-YIBWVLRXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50611930; PubChem:CID12311310
|
Local ready
Direct docking supported
|
|
E3L063096
BDB063096
|
PPARgamma agonist 7
C[C@@H]1OC(=O)/C(=C/CCCCCCCC/C=C2/C(=O)O[C@@H](C)[C@H]2O)[C@@H]1O
|
C20H30O6 366.454000 |
KCJDQTLZAGPZQB-WBYKRSRGSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50611931; PubChem:CID156755187
|
Local ready
Direct docking supported
|
|
E3L063097
BDB063097
|
BDBM50611932
C[C@@H]1OC(=O)/C(=C\CCCCCCCC/C=C2/C(=O)O[C@@H](C)[C@H]2O)[C@@H]1O
|
C20H30O6 366.454000 |
KCJDQTLZAGPZQB-FBPJLDJHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50611932; PubChem:CID156755189
|
Local ready
Direct docking supported
|
|
E3L063098
BDB063098
|
4-[(4-Anilino-5-fluoropyrimidin-2-yl)amino]benzamide
NC(=O)c1ccc(Nc2ncc(F)c(Nc3ccccc3)n2)cc1
|
C17H14FN5O 323.331000 |
IBAUSYCHSXHDOA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50612029; PubChem:CID86030571
|
Local ready
Direct docking supported
|
|
E3L063099
BDB063099
|
(5-(benzyloxy)-1H-indol-1-yl)acetic acid
O=C(O)Cn1ccc2cc(OCc3ccccc3)ccc21
|
C17H15NO3 281.311000 |
UBNHOGJXPXHSPR-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50612113; PubChem:CID21906919
|
Local ready
Direct docking supported
|
|
E3L063100
BDB063100
|
Irak4-IN-13
CN1CCC(n2cc(Nc3nc(OC4(C)CC4)c4nc(-c5cncnc5)ccc4n3)cn2)CC1
|
C24H27N9O 457.542000 |
QQIQOMIKWUAMAA-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50612188; PubChem:CID163408858
|
Local ready
Direct docking supported
|