| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054741
BDB054741
|
BDBM50385914
C[C@@H](/C=C\C(F)(F)F)Oc1cc(-c2cc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O
|
C24H25F3N4O2S 490.551000 |
LLEOOSLUHRQCHZ-AFNCTOJWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50385914; PubChem:CID57387301
|
Local ready
Direct docking supported
|
|
E3L054742
BDB054742
|
BDBM50385915
C[C@H](/C=C\C(F)(F)F)Oc1cc(-c2cc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O
|
C24H25F3N4O2S 490.551000 |
LLEOOSLUHRQCHZ-LMVHVUTASA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50385915; PubChem:CID56947170
|
Local ready
Direct docking supported
|
|
E3L054743
BDB054743
|
BDBM50385916
C[C@@H](Oc1cc(-c2cc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F
|
C28H27F3N4O2S 540.611000 |
DNZGEPPZYMAFLN-MRXNPFEDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50385916; PubChem:CID56947168
|
Local ready
Direct docking supported
|
|
E3L054744
BDB054744
|
BDBM50385919
CC(Oc1cc(-c2cc(-c3ccc(CN(C)C)cc3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F
|
C30H29F3N4O2 534.582000 |
KPYFHKXGOZSVEX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50385919; PubChem:CID57386803
|
Local ready
Direct docking supported
|
|
E3L054745
BDB054745
|
BDBM50386187
CCc1ccc2ccccc2c1CNC(=O)c1c(OC)cc(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C30H27NO7 513.546000 |
GRKRGFVMVKPNPM-BXFARTRRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50386187; PubChem:CID90879635
|
Local ready
Direct docking supported
|
|
E3L054746
BDB054746
|
BDBM50386188
COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3ccccc13)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C29H25NO7 499.519000 |
KYHVEJMKGRELEM-GJQLDDCUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50386188; PubChem:CID90722184
|
Local ready
Direct docking supported
|
|
E3L054747
BDB054747
|
BDBM50386189
CCCc1ccc2ccccc2c1CNC(=O)c1c(OC)cc(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C31H29NO7 527.573000 |
UJKZCRGOTKOUEQ-LDCRUHPQSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50386189; PubChem:CID90852039
|
Local ready
Direct docking supported
|
|
E3L054748
BDB054748
|
BDBM50386190
CCCCc1ccc2ccccc2c1CNC(=O)c1c(OC)cc(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C32H31NO7 541.600000 |
OHFNCXPAOLUCCP-WPNNEGNSSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50386190; PubChem:CID91233244
|
Local ready
Direct docking supported
|
|
E3L054749
BDB054749
|
BDBM50386191
COc1cc(O)c2c(c1C(=O)NCc1c(C)cc(Cl)c3ccccc13)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C29H24ClNO7 533.964000 |
JCTPIWIUFWFNAY-GJQLDDCUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50386191; PubChem:CID91074912
|
Local ready
Direct docking supported
|
|
E3L054750
BDB054750
|
BDBM50386192
COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3c(Cl)cccc13)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C29H24ClNO7 533.964000 |
QMPACKLTIMKCDB-GJQLDDCUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50386192; PubChem:CID90752706
|
Local ready
Direct docking supported
|
|
E3L054751
BDB054751
|
BDBM50386193
COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3cc(Cl)ccc13)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C29H24ClNO7 533.964000 |
GEXOXIKPTWWQII-GJQLDDCUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50386193; PubChem:CID90696433
|
Local ready
Direct docking supported
|
|
E3L054752
BDB054752
|
BDBM50386194
COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3ccc(Cl)cc13)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C29H24ClNO7 533.964000 |
ADOSJZAXCDIIPN-GJQLDDCUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50386194; PubChem:CID91013022
|
Local ready
Direct docking supported
|
|
E3L054753
BDB054753
|
BDBM50386195
COc1cc(O)c2c(c1C(=O)NCc1c(C)cc(F)c3ccccc13)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C29H24FNO7 517.509000 |
CJLMGWZTJXJOLG-GJQLDDCUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50386195; PubChem:CID91224622
|
Local ready
Direct docking supported
|
|
E3L054754
BDB054754
|
BDBM50386196
COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3c(F)cccc13)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C29H24FNO7 517.509000 |
RYYNKTMZLIZGGV-GJQLDDCUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50386196; PubChem:CID91316262
|
Local ready
Direct docking supported
|
|
E3L054755
BDB054755
|
BDBM50386197
COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3cc(F)ccc13)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C29H24FNO7 517.509000 |
ZAJNIFPBORKYJS-GJQLDDCUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50386197; PubChem:CID90746239
|
Local ready
Direct docking supported
|
|
E3L054756
BDB054756
|
BDBM50386198
COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3ccc(F)cc13)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C29H24FNO7 517.509000 |
ILDVEWWSMAJWCU-GJQLDDCUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50386198; PubChem:CID91301795
|
Local ready
Direct docking supported
|
|
E3L054757
BDB054757
|
BDBM50386199
CCc1cc(F)c2ccccc2c1CNC(=O)c1c(OC)cc(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C30H26FNO7 531.536000 |
UZSWJCGMMXLNGV-BXFARTRRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50386199; PubChem:CID91566793
|
Local ready
Direct docking supported
|
|
E3L054758
BDB054758
|
BDBM50386271
O=C(Nc1ccc(N2CCOCC2=O)cc1)[C@H]1Cc2ccccc2CN1C(=O)Cc1ccc(Cl)cc1
|
C28H26ClN3O4 503.986000 |
ZIKSLKHARJRZCC-RUZDIDTESA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50386271; PubChem:CID66573845
|
Local ready
Direct docking supported
|
|
E3L054759
BDB054759
|
BDBM50386693
CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c21
|
C25H24ClN7O2S 522.034000 |
AVHNHPHSQMBYAJ-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50386693; PubChem:CID44229839
|
Local ready
Direct docking supported
|
|
E3L054760
BDB054760
|
BDBM50386749
Cc1ccc(NC(=O)Nc2nnc(Sc3ncnc4cc(OCCCN5CCOCC5)ccc34)s2)cc1
|
C25H27N7O3S2 537.671000 |
LKXFSTAQMOENSC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50386749; PubChem:CID57412684
|
Local ready
Direct docking supported
|