| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065181
BDB065181
|
BDBM50647544
CNc1nc(Nc2ccc(C(=O)N3CCN(C[C@H]4CC[C@@H](CSC(C)(C)[C@H](NC(=O)C5(F)CC5)C(=O)N5C[C@H](O)C[C@H]5C(=O)NCc5ccc(-c6scnc6C)cc5)CC4)CC3)cc2OC)ncc1Cl
|
C50H64ClFN10O6S2 1019.711000 |
HKSBXNVKPFTBIG-ASVLSVEYSA-N | Q15369 | Elongin-C |
BindingDB
BindingDB:BDBM50647544
|
Local ready
Direct docking supported
|
|
E3L065182
BDB065182
|
BDBM50647545
CSC(C)(C)[C@H](NC(=O)C1(F)CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1
|
C26H33FN4O4S2 548.706000 |
UGCKLUYOBRNBBA-SVFBPWRDSA-N | Q15369 | Elongin-C |
BindingDB
BindingDB:BDBM50647545
|
Local ready
Direct docking supported
|
|
E3L065183
BDB065183
|
BDBM50647546
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)SC[C@H]2CC[C@H](CN(C)C)CC2)cc1
|
C35H50FN5O4S2 687.948000 |
ZPRVCDPVYCHLDT-HUTOQSHXSA-N | Q15369 | Elongin-C |
BindingDB
BindingDB:BDBM50647546
|
Local ready
Direct docking supported
|
|
E3L065184
BDB065184
|
BDBM50647547
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)SC[C@H]2CC[C@@H](CN(C)C)CC2)cc1
|
C35H50FN5O4S2 687.948000 |
ZPRVCDPVYCHLDT-GUVMVGMHSA-N | Q15369 | Elongin-C |
BindingDB
BindingDB:BDBM50647547
|
Local ready
Direct docking supported
|
|
E3L065185
BDB065185
|
BDBM50647548
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)SC[C@H]2CC[C@H](CN3CCOCC3)CC2)cc1
|
C37H52FN5O5S2 729.985000 |
CLXVPFKDBLSVPK-YBLDIBISSA-N | Q15369 | Elongin-C |
BindingDB
BindingDB:BDBM50647548
|
Local ready
Direct docking supported
|
|
E3L065186
BDB065186
|
BDBM50647549
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)SC[C@H]2CC[C@@H](CN3CCOCC3)CC2)cc1
|
C37H52FN5O5S2 729.985000 |
CLXVPFKDBLSVPK-WRZLIUBLSA-N | Q15369 | Elongin-C |
BindingDB
BindingDB:BDBM50647549
|
Local ready
Direct docking supported
|
|
E3L065187
BDB065187
|
BDBM50647550
COc1ccc(C(=O)N2CCN(C[C@H]3CC[C@H](CSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)CC3)CC2)cc1
|
C45H59FN6O6S2 863.135000 |
RKYJQMJUEDVPPS-WAQYSQEXSA-N | Q15369 | Elongin-C |
BindingDB
BindingDB:BDBM50647550
|
Local ready
Direct docking supported
|
|
E3L065188
BDB065188
|
BDBM50647551
COc1ccc(C(=O)N2CCN(C[C@H]3CC[C@@H](CSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)CC3)CC2)cc1
|
C45H59FN6O6S2 863.135000 |
RKYJQMJUEDVPPS-GHTJPLQOSA-N | Q15369 | Elongin-C |
BindingDB
BindingDB:BDBM50647551
|
Local ready
Direct docking supported
|
|
E3L065189
BDB065189
|
BDBM50647614
O=C(c1n[nH]c2c(F)cccc12)N1CCOc2ccccc2C1
|
C17H14FN3O2 311.316000 |
RQDNAMSCIAQGKI-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50647614; PubChem:CID171553673
|
Local ready
Direct docking supported
|
|
E3L065190
BDB065190
|
BDBM50647615
O=C(c1n[nH]c2ccccc12)N1CCOc2ccncc2C1
|
C16H14N4O2 294.314000 |
LGHICVBDUUWEHT-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50647615; PubChem:CID171553643
|
Local ready
Direct docking supported
|
|
E3L065191
BDB065191
|
BDBM50647616
O=C(c1n[nH]c2ccc(F)cc12)N1CCOc2ccncc2C1
|
C16H13FN4O2 312.304000 |
SLNRXTFZZCRIDL-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50647616; PubChem:CID171553690
|
Local ready
Direct docking supported
|
|
E3L065192
BDB065192
|
BDBM50647617
O=C(c1n[nH]c2c(F)cccc12)N1CCNc2ccccc2C1
|
C17H15FN4O 310.332000 |
IKSMMZYZVNFZSO-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50647617; PubChem:CID174320887
|
Local ready
Direct docking supported
|
|
E3L065193
BDB065193
|
AhR agonist 8
O=C(c1n[nH]c2ccccc12)N1CCNc2ccc(F)cc2C1
|
C17H15FN4O 310.332000 |
USDJEKDASUHKAI-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50647618; PubChem:CID171553700
|
Local ready
Direct docking supported
|
|
E3L065194
BDB065194
|
BDBM50647619
O=C(c1n[nH]c2ccccc12)N1CCOc2cccc(F)c2C1
|
C17H14FN3O2 311.316000 |
LTECTVZIPNVMHV-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50647619; PubChem:CID171553659
|
Local ready
Direct docking supported
|
|
E3L065195
BDB065195
|
BDBM50647645
CC(=O)NCC(=O)N[C@H](CO)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CO)C(N)=O)C(C)C
|
C56H98N22O17 1351.537000 |
PCONEFYGCDFYOM-POVNSLESSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50647645; PubChem:CID177378764
|
Local ready
Direct docking supported
|
|
E3L065196
BDB065196
|
BDBM50648020
N#CC1(CNc2cccc(-c3cc(Nc4cnn(Cc5ccc(C(=O)Nc6ccccc6N)cc5)c4)ncc3Cl)n2)CCOCC1
|
C34H32ClN9O2 634.144000 |
PACHKDZLOQGLDD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50648020; PubChem:CID177378986
|
Local ready
Direct docking supported
|
|
E3L065197
BDB065197
|
BDBM50648038
CCCNNC(=O)c1ccc(Cn2cc(Nc3ncc(Cl)c(-c4cnc5ccccn45)n3)cn2)cc1
|
C25H24ClN9O 501.982000 |
NBGFLVXOCJHUCJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50648038; PubChem:CID177379004
|
Local ready
Direct docking supported
|
|
E3L065198
BDB065198
|
5-Hydroxy-3-(4-trifluoromethoxyphenyl)benzoic acid
O=C(O)c1cc(O)cc(-c2ccc(OC(F)(F)F)cc2)c1
|
C14H9F3O4 298.216000 |
GTYQGKSQYCEYBH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50648050; PubChem:CID53228257
|
Local ready
Direct docking supported
|
|
E3L065199
BDB065199
|
BDBM50648055
Cc1c(C(=O)NS(=O)(=O)C2CC2)cc(-c2ccc(Cl)cc2)c2cc[nH]c12
|
C19H17ClN2O3S 388.876000 |
ANQYGKVLKNBYFQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50648055; PubChem:CID169501679
|
Local ready
Direct docking supported
|
|
E3L065200
BDB065200
|
BDBM50648056
Cc1c(C(=O)NS(=O)(=O)N(C)C)cc(-c2ccc(Cl)cc2)c2cc[nH]c12
|
C18H18ClN3O3S 391.880000 |
KVLWDVXAVQTEGW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50648056; PubChem:CID169501680
|
Local ready
Direct docking supported
|