| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052961
BDB052961
|
BDBM50334268
CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1
|
C21H21N5O 359.433000 |
SMJAMOAYGIVKRI-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50334268; PubChem:CID24944925
|
Local ready
Direct docking supported
|
|
E3L052962
BDB052962
|
BDBM50334334
CCCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
|
C20H25N3O 323.440000 |
MYWSIEBUDMCSKZ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50334334; PubChem:CID44143058
|
Local ready
Direct docking supported
|
|
E3L052963
BDB052963
|
BDBM50334339
CCC(CN(C)C)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
|
C23H32N4O 380.536000 |
YHLSWJLBOMKEOE-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50334339; PubChem:CID44143056
|
Local ready
Direct docking supported
|
|
E3L052964
BDB052964
|
BDBM50334341
CCCCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
|
C21H27N3O 337.467000 |
SRCISEGAWUDSBD-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50334341; PubChem:CID44143048
|
Local ready
Direct docking supported
|
|
E3L052965
BDB052965
|
BDBM50334594
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl
|
C23H25ClN6O3 468.945000 |
UYJNQQDJUOUFQJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50334594; PubChem:CID9934347
|
Local ready
Direct docking supported
|
|
E3L052966
BDB052966
|
BDBM50334671
C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(=O)c-3c2O)[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@H]1OC(=O)C=Cc1ccc(O)cc1
|
C39H32O14 724.671000 |
WBVRCCKJZJQHSU-AUGJSLJKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50334671
|
Local ready
Direct docking supported
|
|
E3L052967
BDB052967
|
BDBM50334836
Cc1cc(CN2Cc3ccccc3[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O
|
C25H22Cl2N2O4 485.367000 |
MRCUMHGGUAFXSG-DEOSSOPVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50334836; PubChem:CID49837873
|
Local ready
Direct docking supported
|
|
E3L052968
BDB052968
|
BDBM50334841
Cc1cc(CN2CCc3ccccc3C2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O
|
C26H24Cl2N2O4 499.394000 |
KRPUFNAIBFHUHU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50334841; PubChem:CID53323370
|
Local ready
Direct docking supported
|
|
E3L052969
BDB052969
|
BDBM50334842
Cc1cc(CN2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O
|
C26H24Cl2N2O4 499.394000 |
IFWLWDBQOZCTFZ-QHCPKHFHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50334842; PubChem:CID50942697
|
Local ready
Direct docking supported
|
|
E3L052970
BDB052970
|
BDBM50334843
Cc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O
|
C26H24Cl2N2O4 499.394000 |
IFWLWDBQOZCTFZ-HSZRJFAPSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50334843; PubChem:CID50942698
|
Local ready
Direct docking supported
|
|
E3L052971
BDB052971
|
BDBM50335271
CCCOc1ccc(C[C@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
|
C37H43NO4 565.754000 |
XYMQLACGAYNBRX-KHXABJNDSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50335271; PubChem:CID50994601
|
Local ready
Direct docking supported
|
|
E3L052972
BDB052972
|
BDBM50335272
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
|
C37H43NO4 565.754000 |
XYMQLACGAYNBRX-PNXYMTDXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50335272; PubChem:CID50925432
|
Local ready
Direct docking supported
|
|
E3L052973
BDB052973
|
BDBM50335273
CCCOc1ccc(C[C@@H](CC)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
|
C32H41NO4 503.683000 |
GUFHDBFHNDUDJA-MRWIZJNUSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50335273; PubChem:CID44454244
|
Local ready
Direct docking supported
|
|
E3L052974
BDB052974
|
BDBM50335315
Cc1cc(Nc2nn(Cc3cccnc3)c(=O)c3ccccc23)[nH]n1
|
C18H16N6O 332.367000 |
NFSIWQPFIWGRHX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335315; PubChem:CID11716968
|
Local ready
Direct docking supported
|
|
E3L052975
BDB052975
|
4-(1H-Indazol-3-ylamino)-2-phenyl-2H-phthalazin-1-one
O=c1c2ccccc2c(Nc2n[nH]c3ccccc23)nn1-c1ccccc1
|
C21H15N5O 353.385000 |
SGLUSJNGNVRYHM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335316; PubChem:CID50993809
|
Local ready
Direct docking supported
|
|
E3L052976
BDB052976
|
BDBM50335317
CC(=O)Nc1ccc(Cn2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)cc1
|
C21H20N6O2 388.431000 |
JRBMAZMBQUFLGS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335317; PubChem:CID11545541
|
Local ready
Direct docking supported
|
|
E3L052977
BDB052977
|
BDBM50335318
Cc1cc(Nc2nn(C)c(=O)c3ccccc23)[nH]n1
|
C13H13N5O 255.281000 |
JFPKFCDTLPRIHM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335318; PubChem:CID11658909
|
Local ready
Direct docking supported
|
|
E3L052978
BDB052978
|
4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phthalazin-1-one
Cc1cc(Nc2n[nH]c(=O)c3ccccc23)[nH]n1
|
C12H11N5O 241.254000 |
QDLIVRGLOOIUNG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335319; PubChem:CID21106541
|
Local ready
Direct docking supported
|
|
E3L052979
BDB052979
|
BDBM50335320
Cc1cc(Nc2nn(Cc3csc(C)n3)c(=O)c3ccccc23)[nH]n1
|
C17H16N6OS 352.423000 |
NXDNERZXWCKICJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335320; PubChem:CID11653244
|
Local ready
Direct docking supported
|
|
E3L052980
BDB052980
|
BDBM50335321
Cc1cc(Nc2nn(Cc3ccncc3)c(=O)c3ccccc23)[nH]n1
|
C18H16N6O 332.367000 |
CJFBBEOLBIMHEX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335321; PubChem:CID11681507
|
Local ready
Direct docking supported
|