| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048581
BDB048581
|
BDBM50211677
O=C1CN(C(=O)CNc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)c2ccccc2N1
|
C23H27N5O5S 485.566000 |
NPSGOHATJRNPHR-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50211677; PubChem:CID134151878
|
Local ready
Direct docking supported
|
|
E3L048582
BDB048582
|
BDBM50212178
CCCN(c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)COC2)S(C)(=O)=O
|
C31H39N3O4S 549.737000 |
PHHMGOKZHVGWDE-BVRKHOPBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50212178; PubChem:CID44441701
|
Local ready
Direct docking supported
|
|
E3L048583
BDB048583
|
BDBM50212180
CCCN(c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O
|
C31H37N3O5S 563.720000 |
LLXSJJHSWWXYCR-GRKNLSHJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50212180; PubChem:CID44441703
|
Local ready
Direct docking supported
|
|
E3L048584
BDB048584
|
BDBM50212189
C[C@@]1(N)Cc2cccc(c2)CC[C@H](c2ccccc2)NC(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O
|
C34H31N3O3 529.640000 |
LTHZWJXJHAGGMX-QIKUIUABSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50212189; PubChem:CID44441743
|
Local ready
Direct docking supported
|
|
E3L048585
BDB048585
|
BDBM50212693
COc1cc(OCC(=O)O)c(C)cc1SCc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1
|
C25H23F3O5S 492.515000 |
ONKOHQZZVMTPOM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50212693; PubChem:CID10174350
|
Local ready
Direct docking supported
|
|
E3L048586
BDB048586
|
BDBM50212694
O=C(O)COc1ccc(SCc2ccc(F)cc2OCc2ccc(C(F)(F)F)cc2)c2c1CCC2
|
C26H22F4O4S 506.517000 |
QNQHQOYJFFIDLN-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50212694; PubChem:CID44432125
|
Local ready
Direct docking supported
|
|
E3L048587
BDB048587
|
BDBM50212695
Cc1cc(SCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c2c(c1OCC(=O)O)CCC2
|
C27H25F3O4S 502.554000 |
RWRTYMGJKGDYLQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50212695; PubChem:CID22280016
|
Local ready
Direct docking supported
|
|
E3L048588
BDB048588
|
BDBM50212696
O=C(O)COc1ccc(SCc2ccccc2OCc2ccc(C(F)(F)F)cc2)c2c1CCC2
|
C26H23F3O4S 488.527000 |
UQDCLZWSSZJCMF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50212696; PubChem:CID22280178
|
Local ready
Direct docking supported
|
|
E3L048589
BDB048589
|
BDBM50212697
COc1ccc(COc2ccc(CSc3ccc(OCC(=O)O)c4c3CCC4)cc2)cc1
|
C26H26O5S 450.556000 |
BONGLINICVKANL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50212697; PubChem:CID22280062
|
Local ready
Direct docking supported
|
|
E3L048590
BDB048590
|
BDBM50212698
O=C(O)COc1ccc(SCc2cc(F)ccc2OCc2ccc(C(F)(F)F)cc2)c2c1CCC2
|
C26H22F4O4S 506.517000 |
OKTZSQCGQXXCKS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50212698; PubChem:CID23628247
|
Local ready
Direct docking supported
|
|
E3L048591
BDB048591
|
BDBM50212699
O=C(O)COc1ccc(SCc2ccc(OCc3ccc(F)cc3)cc2)c2c1CCC2
|
C25H23FO4S 438.520000 |
AXULCJXNLKWOCT-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50212699; PubChem:CID20826996
|
Local ready
Direct docking supported
|
|
E3L048592
BDB048592
|
BDBM50212700
CC(C)(C)c1ccc(COc2ccc(CSc3ccc(OCC(=O)O)c4c3CCC4)cc2)cc1
|
C29H32O4S 476.638000 |
SNUCWTMFDGLTCI-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50212700; PubChem:CID22280210
|
Local ready
Direct docking supported
|
|
E3L048593
BDB048593
|
BDBM50212701
Cc1cc(SCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c(Cl)cc1OCC(=O)O
|
C24H20ClF3O4S 496.934000 |
XXXMKMSHRBZEPM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50212701; PubChem:CID22280073
|
Local ready
Direct docking supported
|
|
E3L048594
BDB048594
|
BDBM50212702
O=C(O)COc1ccc(SCc2c(F)cccc2OCc2ccc(C(F)(F)F)cc2)c2c1CCC2
|
C26H22F4O4S 506.517000 |
CDKVMZDUGNDTMQ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50212702; PubChem:CID44432127
|
Local ready
Direct docking supported
|
|
E3L048595
BDB048595
|
BDBM50212703
O=C(O)COc1ccc(SCc2ccc(OCc3ccccc3)cc2)c2c1CCC2
|
C25H24O4S 420.530000 |
XWYVNCGVZFRLFM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50212703; PubChem:CID22279993
|
Local ready
Direct docking supported
|
|
E3L048596
BDB048596
|
BDBM50212704
O=C(O)COc1ccc(SCc2ccc(OCc3ccc(Cl)cc3)cc2)c2c1CCC2
|
C25H23ClO4S 454.975000 |
PUTRDWOXGQZTNK-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50212704; PubChem:CID22280173
|
Local ready
Direct docking supported
|
|
E3L048597
BDB048597
|
BDBM50212705
Cc1cc(SCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c2c(c1OCC(=O)O)CCCO2
|
C27H25F3O5S 518.553000 |
KOEHFAAAJFPVKP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50212705; PubChem:CID22280114
|
Local ready
Direct docking supported
|
|
E3L048598
BDB048598
|
BDBM50212706
O=C(O)COc1ccc(SCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c2c1CCCO2
|
C26H23F3O5S 504.526000 |
CUOCCHDGPRTEAX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50212706; PubChem:CID22280103
|
Local ready
Direct docking supported
|
|
E3L048599
BDB048599
|
BDBM50212707
Cc1cc(SCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)ccc1OCC(=O)O
|
C24H21F3O4S 462.489000 |
YJRSXDGYNINSJU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50212707; PubChem:CID22280155
|
Local ready
Direct docking supported
|
|
E3L048600
BDB048600
|
BDBM50212708
O=C(O)COc1ccc(SCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c2c1CCC2
|
C26H23F3O4S 488.527000 |
IVINVXPMKZERSK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50212708; PubChem:CID22280001
|
Local ready
Direct docking supported
|