| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L061401
BDB061401
|
Arv-771
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1
|
C49H60ClN9O7S2 986.662000 |
PQOGZKGXGLHDGS-QQRWPDCKSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM50581595; PubChem:CID126619980
|
Local ready
Direct docking supported
|
|
E3L061402
BDB061402
|
BDBM50581596
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1
|
C50H62ClN9O7S2 1000.689000 |
PWFGHENEZLVBOP-DPSJZEHMSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB
BindingDB:BDBM50581596
|
Local ready
Direct docking supported
|
|
E3L061403
BDB061403
|
BDBM50581597
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1
|
C48H58ClN9O7S2 972.635000 |
MJCKFIWZHNIKPQ-AYWQWSHZSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB
BindingDB:BDBM50581597
|
Local ready
Direct docking supported
|
|
E3L061404
BDB061404
|
BDBM50581598
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1
|
C49H59ClN8O9S2 1003.645000 |
HZTRWCKQNKXISW-PYNGZGNASA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB
BindingDB:BDBM50581598
|
Local ready
Direct docking supported
|
|
E3L061405
BDB061405
|
BDBM50581599
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCOCCOC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1
|
C49H59ClN8O8S2 987.646000 |
CWTFXHWWWKKEQI-QQRWPDCKSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB
BindingDB:BDBM50581599
|
Local ready
Direct docking supported
|
|
E3L061406
BDB061406
|
BDBM50581600
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCCCOCCOC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1
|
C50H61ClN8O8S2 1001.673000 |
VRVWHAZIBGEPEK-DPSJZEHMSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB
BindingDB:BDBM50581600
|
Local ready
Direct docking supported
|
|
E3L061407
BDB061407
|
BDBM50581601
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCOCCOC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1
|
C48H57ClN8O8S2 973.619000 |
SZLZPTHXIDWXLS-AYWQWSHZSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB
BindingDB:BDBM50581601
|
Local ready
Direct docking supported
|
|
E3L061408
BDB061408
|
May1 inhibitor 13a
NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
|
C34H40N4O8 632.714000 |
WNBSRRDTYWNYHA-DZUOILHNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50581791; PubChem:CID10484164
|
Local ready
Direct docking supported
|
|
E3L061409
BDB061409
|
BDBM50581858
[C]C([C])=[C][C][C]/C([C])=[C]/[C][C]/C([C])=[C]/[C][C]/C([C])=[C]/C(=O)[N][C][C][C][N+]([C])([C])[C][C][C][C][N+]([C])([C])[C][C][C][N]
|
C34N4O+2 480.401000 |
ZJEWBJSEYNZJGL-UHFFFAOYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50581858
|
Local ready
Direct docking supported
|
|
E3L061410
BDB061410
|
BDBM50581859
[C]C([C])=[C][C][C]/C([C])=[C]/[C][C]/C([C])=[C]/[C][C]/C([C])=[C]/C(=O)[N][C][C][C][N+]([C])([C])[C][C][C][C]N([C])[C]
|
C31N3O+ 430.361000 |
HVDZJLQXPAWSBD-UHFFFAOYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50581859
|
Local ready
Direct docking supported
|
|
E3L061411
BDB061411
|
BDBM50581860
[C]C([C])=[C][C][C]/C([C])=[C]/[C][C]/C([C])=[C]/[C][C]/C([C])=[C]/C(=O)[N][C][C][C][N+]([C])([C])[C][C][C][C][N+]([C])([C])[C][C][C][N]C(=O)/[C]=C(\[C])[C][C]/[C]=C(\[C])[C][C]/[C]=C(\[C])[C][C][C]=C([C])[C]
|
C54N4O2+2 736.620000 |
PTWIWVDNYFGFMK-UHFFFAOYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50581860
|
Local ready
Direct docking supported
|
|
E3L061412
BDB061412
|
BDBM50581861
[C]C([C])=[C][C][C]/C([C])=[C]/[C][C]/C([C])=[C]/[C][C]/C([C])=[C]/C(=O)[N][C][C][C][N+]([C])([C])[C][C][C][C][N+]([C])([C])[C][C][C][N][C]=O
|
C35N4O2+2 508.411000 |
GOMFZUFHIGLCCV-UHFFFAOYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50581861
|
Local ready
Direct docking supported
|
|
E3L061413
BDB061413
|
BDBM50581862
[C]C(=O)[N][C][C][C][N+]([C])([C])[C][C][C][C][N+]([C])([C])[C][C][C][N]C(=O)/[C]=C(\[C])[C][C]/[C]=C(\[C])[C][C]/[C]=C(\[C])[C][C][C]=C([C])[C]
|
C36N4O2+2 520.422000 |
GFGGYPYZEBLFRO-UHFFFAOYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50581862
|
Local ready
Direct docking supported
|
|
E3L061414
BDB061414
|
BDBM50581863
C=C(C)C(CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCC[N+](C)(C)CCCC[N+](C)(C)CCCN)OC(C)=O
|
C36H68N4O3+2 604.965000 |
CCXZTIYAVJHDFR-PXHFYUSRSA-O | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50581863; PubChem:CID166636192
|
Local ready
Direct docking supported
|
|
E3L061415
BDB061415
|
BDBM50581864
[C]C(=O)O[C]([C][C]/C([C])=[C]/[C][C]/C([C])=[C]/C(=O)[N][C][C][C][N+]([C])([C])[C][C][C][C][N+]([C])([C])[C][C][C][N])C(=[C])[C][C][C]=C([C])[C]
|
C36N4O3+2 536.421000 |
MGWKTQPCVYPLBQ-UHFFFAOYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50581864
|
Local ready
Direct docking supported
|
|
E3L061416
BDB061416
|
BDBM50582135
Cc1ccc(C(=O)NCC(=O)Nc2ccc3c(c2)/C(=C/c2cnc[nH]2)C(=O)N3)c(=O)n1Cc1ccc(F)c(F)c1
|
C28H22F2N6O4 544.518000 |
HJUAIOQSNLTXLS-FBHDLOMBSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50582135; PubChem:CID132211858
|
Local ready
Direct docking supported
|
|
E3L061417
BDB061417
|
BDBM50582136
Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc3c(c2)/C(=C/c2cnc[nH]2)C(=O)N3)c2ccccc2)c(=O)n1Cc1ccc(F)c(F)c1
|
C34H26F2N6O4 620.616000 |
KHPDVVDNRUBARQ-YJWYJIRDSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50582136
|
Local ready
Direct docking supported
|
|
E3L061418
BDB061418
|
BDBM50582137
Cc1c(Br)cc(C(=O)NCC(=O)Nc2ccc3c(c2)/C(=C/c2cnc[nH]2)C(=O)N3)c(=O)n1Cc1ccc(F)c(F)c1
|
C28H21BrF2N6O4 623.414000 |
PFXPIFJDEXHSIO-UWVJOHFNSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50582137; PubChem:CID132211881
|
Local ready
Direct docking supported
|
|
E3L061419
BDB061419
|
BDBM50582138
Cc1c(Br)cc(C(=O)N[C@@H](C(=O)Nc2ccc3c(c2)/C(=C/c2cnc[nH]2)C(=O)N3)c2ccccc2)c(=O)n1Cc1ccc(F)c(F)c1
|
C34H25BrF2N6O4 699.512000 |
KLYXBLDJCZSBIR-HPEYOZPNSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50582138
|
Local ready
Direct docking supported
|
|
E3L061420
BDB061420
|
BDBM50582526
Cc1ccc(NC(=O)COc2ccc3cc(/C=C4/SC(=O)NC4=O)ccc3c2)cc1
|
C23H18N2O4S 418.474000 |
SZXUDKIXIBVQCU-RGVLZGJSSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50582526; PubChem:CID166631743
|
Local ready
Direct docking supported
|