| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002881
BDB002881
|
BDBM46237
COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1OC
|
C22H20N2O6S2 472.544000 |
SXQHJEJEQMJASD-PDGQHHTCSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM46237; PubChem:CID1587127
|
Local ready
Direct docking supported
|
|
E3L002882
BDB002882
|
BDBM46244
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(C(=O)O)c1
|
C24H17ClN2O4 432.863000 |
QXRVNDCFCHMEAR-XDHOZWIPSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM46244; PubChem:CID1516220
|
Local ready
Direct docking supported
|
|
E3L002883
BDB002883
|
2,6-dichloro-N-(2-hydroxy-1,3-dioxoinden-2-yl)benzamide
O=C(NC1(O)C(=O)c2ccccc2C1=O)c1c(Cl)cccc1Cl
|
C16H9Cl2NO4 350.157000 |
AFVBNYYWHQHUGU-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM46593; PubChem:CID2810445
|
Local ready
Direct docking supported
|
|
E3L002884
BDB002884
|
BDBM47108
COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1
|
C27H26ClN9O4 576.017000 |
RUNFYOCZSWNWFH-OJWOGGGRSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM47108
|
Local ready
Direct docking supported
|
|
E3L002885
BDB002885
|
BDBM47162
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC3COc4ccccc4C3)cc12
|
C34H30N2O4 530.624000 |
XPCLROUCHIPBSJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM47162; PubChem:CID71074686
|
Local ready
Direct docking supported
|
|
E3L002886
BDB002886
|
BDBM47167
COc1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)cc(OC)c1OC
|
C21H18N2O5 378.384000 |
CZGMEOAMQWAJOY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM47167; PubChem:CID11530963
|
Local ready
Direct docking supported
|
|
E3L002887
BDB002887
|
US8598206, Table 6, 9
CC(=O)N1CCC(CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1
|
C36H53N7O5S 695.931000 |
QCJKXYYLKAMQSD-JHOUSYSJSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM47177; PubChem:CID53346080
|
Local ready
Direct docking supported
|
|
E3L002888
BDB002888
|
BDBM47197
CS(=O)(=O)c1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N
|
C19H13BrN2O2S 413.296000 |
QXUGQXHZIXSGKU-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM47197; PubChem:CID1317357
|
Local ready
Direct docking supported
|
|
E3L002889
BDB002889
|
US9073917, 2-inventive
CCc1[nH]cc2c1NC1=C(C(=O)CCC1)[C@H]2c1cccc(Oc2nc3ccccc3[nH]2)c1
|
C26H24N4O2 424.504000 |
BRXHKUKMMZTVRE-QHCPKHFHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM47224; PubChem:CID70645391
|
Local ready
Direct docking supported
|
|
E3L002890
BDB002890
|
US9012475, Mln8237
COc1cc(Nc2ncc3c(n2)-c2cccc(Cl)c2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O
|
C27H20ClFN4O4 518.932000 |
ORGQNRJTEJDZTI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM47238; PubChem:CID92044531
|
Local ready
Direct docking supported
|
|
E3L002891
BDB002891
|
BDBM47298
CCC(=O)NC(c1cccs1)c1cc([N+](=O)[O-])c2cccnc2c1O
|
C17H15N3O4S 357.391000 |
DEXNORPUTBBNSC-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM47298; PubChem:CID2921716
|
Local ready
Direct docking supported
|
|
E3L002892
BDB002892
|
BDBM47300
Cc1ccc(C)c(C(Nc2cccnc2)c2cc(Cl)c3cccnc3c2O)c1
|
C23H20ClN3O 389.886000 |
MJUWUFTWEZHRBO-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM47300; PubChem:CID2976933
|
Local ready
Direct docking supported
|
|
E3L002893
BDB002893
|
BDBM47303
Oc1c(C(Nc2ccccn2)c2ccccc2Cl)ccc2cccnc12
|
C21H16ClN3O 361.832000 |
RGPCTXYEMALQFR-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM47303; PubChem:CID4986404
|
Local ready
Direct docking supported
|
|
E3L002894
BDB002894
|
BDBM47305
Cc1cccc(NC(c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)n1
|
C23H18F3N3O 409.411000 |
HUHLXTYKRKEJDP-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM47305; PubChem:CID3265071
|
Local ready
Direct docking supported
|
|
E3L002895
BDB002895
|
BDBM47307
Oc1c(C(Nc2cccnc2)c2ccc(C(F)(F)F)cc2)ccc2cccnc12
|
C22H16F3N3O 395.384000 |
DENCCOZMOOLBIS-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM47307; PubChem:CID2976838
|
Local ready
Direct docking supported
|
|
E3L002896
BDB002896
|
BDBM47310
Cc1cc(Cl)cnc1NC(c1ccc2cccnc2c1O)c1c(F)c(F)c(OCC(F)(F)F)c(F)c1F
|
C24H15ClF7N3O2 545.842000 |
DJRVQLYQYXYHOA-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM47310; PubChem:CID89980955
|
Local ready
Direct docking supported
|
|
E3L002897
BDB002897
|
BDBM47420
COC(=O)/C=C/c1ccc(OC(=O)OC)c(OC(=O)OC)c1
|
C14H14O8 310.258000 |
QEWUDAKCWIEESB-FNORWQNLSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM47420; PubChem:CID915140
|
Local ready
Direct docking supported
|
|
E3L002898
BDB002898
|
BDBM47816
COCCCNC(=O)c1ccc2c3c(onc13)-c1ccccc1C2=O
|
C19H16N2O4 336.347000 |
LXUKGKQDBOPMHC-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM47816; PubChem:CID3729555
|
Local ready
Direct docking supported
|
|
E3L002899
BDB002899
|
BDBM47968
CC(=O)Nc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1
|
C22H17N3O4S2 451.529000 |
DQKXIWVDLDLOSL-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM47968
|
Local ready
Direct docking supported
|
|
E3L002900
BDB002900
|
BDBM48003
COC(=O)c1cc(C)nc2c1C(=O)C(=O)C=C2N1CCOCC1
|
C16H16N2O5 316.313000 |
FKVLEVTZACLFAJ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM48003; PubChem:CID3101746
|
Local ready
Direct docking supported
|