| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054381
BDB054381
|
BDBM50374792
Cc1cc(SCc2nc(-c3ccc(Cl)c(Cl)c3)ns2)ccc1OC(C)(C)C(=O)O
|
C20H18Cl2N2O3S2 469.415000 |
ODCHEZKQADNMGG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50374792; PubChem:CID11476916
|
Local ready
Direct docking supported
|
|
E3L054382
BDB054382
|
BDBM50374793
Cc1cc(SCc2nc(-c3ccc(C(F)(F)F)c(F)c3)ns2)ccc1OC(C)(C)C(=O)O
|
C21H18F4N2O3S2 486.512000 |
WFAIISYMDNEHFI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50374793; PubChem:CID11785036
|
Local ready
Direct docking supported
|
|
E3L054383
BDB054383
|
BDBM50374794
Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)sn2)ccc1OCC(=O)O
|
C20H16F3NO3S2 439.480000 |
XDBYOUMFMMQXKM-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50374794; PubChem:CID22229275
|
Local ready
Direct docking supported
|
|
E3L054384
BDB054384
|
BDBM50374795
Cc1ccc(-c2nsc(CSc3ccc(OC(C)(C)C(=O)O)c(C)c3)n2)cc1Cl
|
C21H21ClN2O3S2 448.997000 |
QKPRBQKBZSCFSF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50374795; PubChem:CID11155122
|
Local ready
Direct docking supported
|
|
E3L054385
BDB054385
|
BDBM50374796
Cc1cc(SCc2nc(-c3ccc(OC(F)(F)F)c(Cl)c3)ns2)ccc1OC(C)(C)C(=O)O
|
C21H18ClF3N2O4S2 518.966000 |
VNWJWKPLAODHNH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50374796; PubChem:CID11214539
|
Local ready
Direct docking supported
|
|
E3L054386
BDB054386
|
BDBM50374797
Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)on2)ccc1OCC(=O)O
|
C20H16F3NO4S 423.412000 |
VUAOPQZQOPZBCT-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50374797; PubChem:CID22229314
|
Local ready
Direct docking supported
|
|
E3L054387
BDB054387
|
BDBM50375300
COc1cc(O)c2c(c1)C1(OC2=O)C(=O)C(=O)CC1C
|
C14H12O6 276.244000 |
RHTVEOLOMRDENY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50375300; PubChem:CID91930144
|
Local ready
Direct docking supported
|
|
E3L054388
BDB054388
|
BDBM50375655
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(O)c1c(F)cccc1F
|
C15H14F2N6O3S 396.379000 |
JYXXUTRJQLQXSJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50375655; PubChem:CID44450679
|
Local ready
Direct docking supported
|
|
E3L054389
BDB054389
|
Cdk1 inhibitor
O=C1Nc2ccccc2/C1=C\c1c(Cl)[nH]c2ccccc12
|
C17H11ClN2O 294.741000 |
QJKBRWSJWQVKLY-UKTHLTGXSA-N | O14965, P51948 | Cyclin-H, Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50375670; PubChem:CID5472558
|
Local ready
Direct docking supported
|
|
E3L054390
BDB054390
|
BDBM50375992
COc1cc2nccc(Oc3ccc4c(C(=O)NC5(C)CC5)cccc4c3)c2cc1OC
|
C26H24N2O4 428.488000 |
IZZAJZCFAZXNDC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50375992; PubChem:CID24823090
|
Local ready
Direct docking supported
|
|
E3L054391
BDB054391
|
BDBM50375993
COc1cc2nccc(Oc3ccc4c(C(=O)NC5CCC5)cccc4c3)c2cc1OC
|
C26H24N2O4 428.488000 |
BYYYCNUDMZSOGS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50375993; PubChem:CID24824448
|
Local ready
Direct docking supported
|
|
E3L054392
BDB054392
|
BDBM50375994
COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(C(N)=O)cc34)ccc12
|
C25H23N3O5 445.475000 |
XZDKAVSSXNBWNJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50375994; PubChem:CID11224593
|
Local ready
Direct docking supported
|
|
E3L054393
BDB054393
|
BDBM50375995
COc1cc2nccc(Oc3ccc4c(C(N)=O)cccc4c3)c2cc1C(N)=O
|
C22H17N3O4 387.395000 |
HSAQBRJGYZIVJP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50375995; PubChem:CID11211389
|
Local ready
Direct docking supported
|
|
E3L054394
BDB054394
|
BDBM50375996
COc1cc2nccc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1C(N)=O
|
C25H21N3O4 427.460000 |
IAYJLHOAEWIYAY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50375996; PubChem:CID11750694
|
Local ready
Direct docking supported
|
|
E3L054395
BDB054395
|
BDBM50375997
COc1ccc2c(Oc3ccc4c(C(N)=O)cccc4c3)ccnc2c1
|
C21H16N2O3 344.370000 |
ISVKXCPIKLZVQW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50375997; PubChem:CID24823095
|
Local ready
Direct docking supported
|
|
E3L054396
BDB054396
|
BDBM50375998
COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)ccc34)ccc12
|
C24H22N2O4 402.450000 |
AOSZKTUKGKSFAV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50375998; PubChem:CID24823253
|
Local ready
Direct docking supported
|
|
E3L054397
BDB054397
|
BDBM50375999
COc1ccc2c(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)ccnc2c1
|
C24H20N2O3 384.435000 |
VCDOUBNPUAACRA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50375999; PubChem:CID11383525
|
Local ready
Direct docking supported
|
|
E3L054398
BDB054398
|
BDBM50376000
COc1cc2ncnc(Oc3ccc4c(C(N)=O)cccc4c3)c2cc1OC
|
C21H17N3O4 375.384000 |
ZYYNXHSAMWEIKK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50376000; PubChem:CID24823094
|
Local ready
Direct docking supported
|
|
E3L054399
BDB054399
|
BDBM50376001
COCCNC(=O)c1cccc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12
|
C24H23N3O5 433.464000 |
PGINJTUIQUFAPP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50376001; PubChem:CID24823252
|
Local ready
Direct docking supported
|
|
E3L054400
BDB054400
|
BDBM50376002
COc1cc2ncnc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1OC
|
C24H21N3O4 415.449000 |
JLBAXNKYJZOYGQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50376002; PubChem:CID24823093
|
Local ready
Direct docking supported
|