| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057001
BDB057001
|
BDBM50459953
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)[C@@H](C)O)cc1
|
C24H29FN4O5S 504.584000 |
KPVWXDKGVYUNBF-OAOYMFHYSA-N | Q15369 | Elongin-C |
BindingDB, PubChem
BindingDB:BDBM50459953; PubChem:CID145967743
|
Local ready
Direct docking supported
|
|
E3L057002
BDB057002
|
BDBM50459954
CC(=O)C1(C(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1
|
C28H36N4O5S 540.686000 |
JNBFSDQPUBSKFV-FUPPJEDESA-N | Q15369 | Elongin-C |
BindingDB
BindingDB:BDBM50459954
|
Local ready
Direct docking supported
|
|
E3L057003
BDB057003
|
BDBM50459955
CC(=O)NC1(C(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1
|
C28H37N5O5S 555.701000 |
SFLOLDSFURSREE-FUPPJEDESA-N | Q15369 | Elongin-C |
BindingDB
BindingDB:BDBM50459955
|
Local ready
Direct docking supported
|
|
E3L057004
BDB057004
|
BDBM50459956
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2CC(=O)C2)C(C)(C)C)cc1
|
C27H34N4O5S 526.659000 |
WHHJTGONFDCQEJ-FUPPJEDESA-N | Q15369 | Elongin-C |
BindingDB, PubChem
BindingDB:BDBM50459956; PubChem:CID145967810
|
Local ready
Direct docking supported
|
|
E3L057005
BDB057005
|
BDBM50459957
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](N2CCCC2=O)C(C)(C)C)cc1
|
C26H34N4O4S 498.649000 |
UTQIQISFAOFPCJ-ZRCGQRJVSA-N | Q15369 | Elongin-C |
BindingDB, PubChem
BindingDB:BDBM50459957; PubChem:CID145988632
|
Local ready
Direct docking supported
|
|
E3L057006
BDB057006
|
BDBM50459958
CC(=O)N1CC(C(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)C1
|
C28H37N5O5S 555.701000 |
ACOSWKMXFBUZPG-AOHZBQACSA-N | Q15369 | Elongin-C |
BindingDB, PubChem
BindingDB:BDBM50459958; PubChem:CID145970152
|
Local ready
Direct docking supported
|
|
E3L057007
BDB057007
|
BDBM50459959
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)cc1
|
C28H40N4O4S 528.719000 |
YHCWTMCHWMELSK-ZFGGDYGUSA-N | Q15369 | Elongin-C |
BindingDB, PubChem
BindingDB:BDBM50459959; PubChem:CID135302662
|
Local ready
Direct docking supported
|
|
E3L057008
BDB057008
|
BDBM50459960
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C(Cl)(Cl)Cl)C(C)(C)C)cc1
|
C24H29Cl3N4O4S 575.946000 |
PSBMXHOYTADYMA-ZIFCJYIRSA-N | Q15369 | Elongin-C |
BindingDB, PubChem
BindingDB:BDBM50459960; PubChem:CID145969890
|
Local ready
Direct docking supported
|
|
E3L057009
BDB057009
|
BDBM50459961
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2COC2)C(C)(C)C)cc1
|
C26H34N4O5S 514.648000 |
NKBZEWGYKXYCGU-RZUBCFFCSA-N | Q15369 | Elongin-C |
BindingDB
BindingDB:BDBM50459961
|
Local ready
Direct docking supported
|
|
E3L057010
BDB057010
|
BDBM50460766
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cc3cccnc3)ns2)n1
|
C19H16N8S 388.460000 |
FQYLBTSEQZTPPO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460766; PubChem:CID145969024
|
Local ready
Direct docking supported
|
|
E3L057011
BDB057011
|
BDBM50460767
CCN(CCO)Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1
|
C18H22N8OS 398.496000 |
RHAMYMXUVZEEJR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460767; PubChem:CID145967951
|
Local ready
Direct docking supported
|
|
E3L057012
BDB057012
|
BDBM50460768
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cc3ccc(F)cn3)ns2)n1
|
C19H15FN8S 406.450000 |
UQRIWYJCIHLDPZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460768; PubChem:CID25145568
|
Local ready
Direct docking supported
|
|
E3L057013
BDB057013
|
BDBM50460769
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cn3cccc3)ns2)n1
|
C18H16N8S 376.449000 |
RKRJYSMZCAUETE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460769; PubChem:CID145970473
|
Local ready
Direct docking supported
|
|
E3L057014
BDB057014
|
BDBM50460770
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cc3cccc(F)n3)ns2)n1
|
C19H15FN8S 406.450000 |
YNZDLALCXBAODY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460770; PubChem:CID145969442
|
Local ready
Direct docking supported
|
|
E3L057015
BDB057015
|
BDBM50460771
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cc3cccc(C(=O)N4CCCCC4)n3)ns2)n1
|
C25H25N9OS 499.604000 |
BLSODUBGWXTNGZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460771; PubChem:CID145969955
|
Local ready
Direct docking supported
|
|
E3L057016
BDB057016
|
Aurora inhibitor 1
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C(NC(C)(C)C)c3ccccn3)ns2)n1
|
C23H25N9S 459.583000 |
QTTGVGLTCILDCA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460772; PubChem:CID51003133
|
Local ready
Direct docking supported
|
|
E3L057017
BDB057017
|
BDBM50460773
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cc3ccccn3)ns2)n1
|
C19H16N8S 388.460000 |
NNQHKTWARZSGTQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460773; PubChem:CID25145716
|
Local ready
Direct docking supported
|
|
E3L057018
BDB057018
|
BDBM50460774
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cc3ncccc3C)ns2)n1
|
C20H18N8S 402.487000 |
XFDAGNBBOZKUIP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460774; PubChem:CID25145715
|
Local ready
Direct docking supported
|
|
E3L057019
BDB057019
|
BDBM50460775
Cc1ccnc(Cc2cc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)sn2)c1
|
C20H18N8S 402.487000 |
YRBTWWVMRDALFA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460775; PubChem:CID25145714
|
Local ready
Direct docking supported
|
|
E3L057020
BDB057020
|
BDBM50460776
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cc3nccs3)ns2)n1
|
C17H14N8S2 394.489000 |
FDAYFBMHMNYSCR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460776; PubChem:CID145971147
|
Local ready
Direct docking supported
|