| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053621
BDB053621
|
2-[[2,5-Bis(2-phenylethoxy)phenyl]methyl]hexanoic acid
CCCCC(Cc1cc(OCCc2ccccc2)ccc1OCCc1ccccc1)C(=O)O
|
C29H34O4 446.587000 |
OBQTVQRLGOQNRJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50351423; PubChem:CID53363222
|
Local ready
Direct docking supported
|
|
E3L053622
BDB053622
|
BDBM50351424
CCCC/C(=C\c1cc(OCCc2ccccc2)ccc1OCCc1ccccc1)C(=O)O
|
C29H32O4 444.571000 |
NWEWKNCHANFNEM-NJNXFGOHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50351424; PubChem:CID53363224
|
Local ready
Direct docking supported
|
|
E3L053623
BDB053623
|
BDBM50351425
CCCC/C(=C\c1cc(OCCc2ccc(C(F)(F)F)cc2)ccc1OCCc1ccc(C(F)(F)F)cc1)C(=O)O
|
C31H30F6O4 580.565000 |
LKYYLGBNRZLTJP-FCDQGJHFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50351425; PubChem:CID53363313
|
Local ready
Direct docking supported
|
|
E3L053624
BDB053624
|
BDBM50351426
CCCCC(Cc1ccc(OCCC2CCCCC2)c(OCCC2CCCCC2)c1)C(=O)O
|
C29H46O4 458.683000 |
LQEGRURRXZMGOB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50351426; PubChem:CID56672150
|
Local ready
Direct docking supported
|
|
E3L053625
BDB053625
|
BDBM50351427
CCCCC(Cc1ccc(OCCC2CCCCC2)c(OCCc2ccccc2)c1)C(=O)O
|
C29H40O4 452.635000 |
SKSRSENOGXDPGP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50351427; PubChem:CID56675543
|
Local ready
Direct docking supported
|
|
E3L053626
BDB053626
|
BDBM50351428
CCCCC(Cc1ccc(OCCc2ccccc2)c(OCCC2CCCCC2)c1)C(=O)O
|
C29H40O4 452.635000 |
NTGDVPCCHIDMNP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50351428; PubChem:CID56665220
|
Local ready
Direct docking supported
|
|
E3L053627
BDB053627
|
BDBM50352200
CS(=O)(=O)N(CCO)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
|
C20H27N7O3S 445.549000 |
SRJYCUWWNQFSQR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352200; PubChem:CID56675318
|
Local ready
Direct docking supported
|
|
E3L053628
BDB053628
|
BDBM50352201
CS(=O)(=O)N(CCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
|
C24H34N8O3S 514.656000 |
LDNQAJNFIYSIHK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352201; PubChem:CID56661576
|
Local ready
Direct docking supported
|
|
E3L053629
BDB053629
|
BDBM50352202
CS(=O)(=O)N(CCN)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
|
C20H28N8O2S 444.565000 |
SZKRTTIHILIRKD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352202; PubChem:CID53308639
|
Local ready
Direct docking supported
|
|
E3L053630
BDB053630
|
BDBM50352203
CN(C)CCN(c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1)S(C)(=O)=O
|
C22H32N8O2S 472.619000 |
SOXXWGSPFAGLBY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352203; PubChem:CID56678663
|
Local ready
Direct docking supported
|
|
E3L053631
BDB053631
|
BDBM50352204
CS(=O)(=O)N(CCN1CCCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
|
C24H34N8O2S 498.657000 |
SZYCBCZXRQISJY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352204; PubChem:CID56671940
|
Local ready
Direct docking supported
|
|
E3L053632
BDB053632
|
BDBM50352205
CS(=O)(=O)Nc1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
|
C18H23N7O2S 401.496000 |
PARUULGUCQEWNM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352205; PubChem:CID53308640
|
Local ready
Direct docking supported
|
|
E3L053633
BDB053633
|
BDBM50352206
CS(=O)(=O)N(CCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
|
C25H35N7O3S 513.668000 |
XFWNXRYYGPIPLI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352206; PubChem:CID53388319
|
Local ready
Direct docking supported
|
|
E3L053634
BDB053634
|
BDBM50352207
CS(=O)(=O)N(c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)nc1)S(C)(=O)=O
|
C19H25N7O4S2 479.588000 |
DAUPWSYJFPPJHV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352207; PubChem:CID56658064
|
Local ready
Direct docking supported
|
|
E3L053635
BDB053635
|
BDBM50352208
CS(=O)(=O)N(CCCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
|
C26H37N7O3S 527.695000 |
SPTNJNJCNRTHDY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352208; PubChem:CID56661575
|
Local ready
Direct docking supported
|
|
E3L053636
BDB053636
|
BDBM50352209
CC(C)N(c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1)S(C)(=O)=O
|
C22H30N6O2S 442.589000 |
DRDUZQHVFDFHIY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352209; PubChem:CID56678661
|
Local ready
Direct docking supported
|
|
E3L053637
BDB053637
|
BDBM50352210
CS(=O)(=O)N(CCCO)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
|
C22H30N6O3S 458.588000 |
QZTBLEFQOCINTB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352210; PubChem:CID56668430
|
Local ready
Direct docking supported
|
|
E3L053638
BDB053638
|
BDBM50352211
CS(=O)(=O)N(CCCN1CCCCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
|
C27H39N7O2S 525.723000 |
AANVTLVNTUEXNM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352211; PubChem:CID56678662
|
Local ready
Direct docking supported
|
|
E3L053639
BDB053639
|
BDBM50352212
CS(=O)(=O)N(CCO)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
|
C21H28N6O3S 444.561000 |
RIEBONGMTZXFMR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352212; PubChem:CID56672286
|
Local ready
Direct docking supported
|
|
E3L053640
BDB053640
|
BDBM50352213
CS(=O)(=O)N(Cc1ccncc1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
|
C25H29N7O2S 491.621000 |
MRAOFFFVZQWILN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352213; PubChem:CID56664990
|
Local ready
Direct docking supported
|