| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048561
BDB048561
|
BDBM50208866
CCO[C@@H](Cc1ccc(OC/C=C/c2cc(/C=C/c3ccccc3)cc(/C=C/c3ccccc3)c2)cc1)C(=O)O
|
C36H34O4 530.664000 |
ADYURMHVIHXMML-SDEPAHMESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50208866; PubChem:CID44441223
|
Local ready
Direct docking supported
|
|
E3L048562
BDB048562
|
BDBM50208867
CCO[C@@H](Cc1ccc(OC/C=C/c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)cc1)C(=O)O
|
C40H46O4 590.804000 |
SFLKUQNGCABHIS-SEGHEJGSSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50208867; PubChem:CID20765807
|
Local ready
Direct docking supported
|
|
E3L048563
BDB048563
|
BDBM50208868
CCO[C@@H](Cc1ccc(OC/C=C/c2cc(C#Cc3ccccc3)cc(C#Cc3ccccc3)c2)cc1)C(=O)O
|
C36H30O4 526.632000 |
FREWPBFGMAMPNE-AJPIAVEZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50208868; PubChem:CID44441221
|
Local ready
Direct docking supported
|
|
E3L048564
BDB048564
|
BDBM50208869
CCO[C@@H](Cc1ccc(OC/C=C/c2cc(OC3CCCC3)cc(OC3CCCC3)c2)cc1)C(=O)O
|
C30H38O6 494.628000 |
NFNUTCDJMMLZMX-CJXXQJBOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50208869; PubChem:CID44441344
|
Local ready
Direct docking supported
|
|
E3L048565
BDB048565
|
BDBM50208870
CCO[C@@H](Cc1ccc(OC/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)C(=O)O
|
C22H20F6O4 462.386000 |
BVMXQQASLFJCNS-RTLBZRNLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50208870; PubChem:CID20765805
|
Local ready
Direct docking supported
|
|
E3L048566
BDB048566
|
BDBM50208871
CCO[C@@H](Cc1ccc(OC/C=C/c2cc(OC)cc(OC)c2)cc1)C(=O)O
|
C22H26O6 386.444000 |
KSTNVCYPZQORSY-LYSGITKLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50208871; PubChem:CID44441214
|
Local ready
Direct docking supported
|
|
E3L048567
BDB048567
|
BDBM50208911
CC1(C)C(=O)N([C@H]2CCc3c(O)cccc32)c2nc(Nc3ccccc3)ncc21
|
C23H22N4O2 386.455000 |
XLFNLJYGUOLEJS-SFHVURJKSA-N | P51617, P51948 | Cyclin-H, Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50208911; PubChem:CID69036886
|
Local ready
Direct docking supported
|
|
E3L048568
BDB048568
|
BDBM50210072
Cc1nc(N)ccc1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1
|
C22H23N7O 401.474000 |
WWJLNLGOEPGLIB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50210072; PubChem:CID134130781
|
Local ready
Direct docking supported
|
|
E3L048569
BDB048569
|
ASGPR modulator-1
Cc1nc(N)cc2c1CNC(=O)c1cnn(c1)Cc1ccc(Cn3cccn3)cc1OCCC/C=C\CCO2
|
C29H33N7O3 527.629000 |
ZVYLYYBRLJOHMS-RQOWECAXSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50210073; PubChem:CID134131084
|
Local ready
Direct docking supported
|
|
E3L048570
BDB048570
|
BDBM50210074
Cc1nc(N)cc2c1CNC(=O)c1cnn(c1)Cc1ccc(Cn3cccn3)cc1OCC/C=C/CCCO2
|
C29H33N7O3 527.629000 |
OSLSJEGJCLYVFN-NSCUHMNNSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM50210074
|
Local ready
Direct docking supported
|
|
E3L048571
BDB048571
|
BDBM50210075
Cc1nc(N)cc2c1CNC(=O)c1cnn(c1)Cc1ccc(Cn3cccn3)cc1OCCCC=CCCO2
|
C29H33N7O3 527.629000 |
ZVYLYYBRLJOHMS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50210075; PubChem:CID134131303
|
Local ready
Direct docking supported
|
|
E3L048572
BDB048572
|
BDBM50210127
Cc1nc(N)cc2c1CNC(=O)c1cnn(c1)Cc1ccc(Cn3cccn3)cc1OCCC/C=C/CCO2
|
C29H33N7O3 527.629000 |
ZVYLYYBRLJOHMS-DUXPYHPUSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM50210127
|
Local ready
Direct docking supported
|
|
E3L048573
BDB048573
|
Pacritinib
C1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC/1
|
C28H32N4O3 472.589000 |
HWXVIOGONBBTBY-ONEGZZNKSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50210177; PubChem:CID46216796
|
Local ready
Direct docking supported
|
|
E3L048574
BDB048574
|
BDBM50211656
CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2c(=O)c(C)nc3ccccc32)cc1
|
C22H25N5O5S 471.539000 |
IOJDBQXYEIGVNQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50211656; PubChem:CID132961628
|
Local ready
Direct docking supported
|
|
E3L048575
BDB048575
|
BDBM50211657
CCCCNC(=O)NS(=O)(=O)c1ccc(NCC(=O)N2CC(=O)Nc3ccccc32)cc1
|
C21H25N5O5S 459.528000 |
YAQFNGUXFVAROY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50211657; PubChem:CID134146293
|
Local ready
Direct docking supported
|
|
E3L048576
BDB048576
|
BDBM50211658
CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)CN2CC(=O)Nc3ccccc32)cc1
|
C21H25N5O5S 459.528000 |
GLDURGSRRPEZST-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50211658; PubChem:CID134156437
|
Local ready
Direct docking supported
|
|
E3L048577
BDB048577
|
BDBM50211659
O=C(CN1CC(=O)Nc2ccccc21)Nc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
|
C23H27N5O5S 485.566000 |
GUOJBHMVGTXVNW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50211659; PubChem:CID134146909
|
Local ready
Direct docking supported
|
|
E3L048578
BDB048578
|
BDBM50211660
Cc1nc2ccccc2n(CC(=O)Nc2ccc(S(=O)(=O)NC(=S)NC3CCCCC3)cc2)c1=O
|
C24H27N5O4S2 513.645000 |
WSTZIATXULQCTI-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50211660; PubChem:CID132961631
|
Local ready
Direct docking supported
|
|
E3L048579
BDB048579
|
BDBM50211669
CCCCNC(=S)NS(=O)(=O)c1ccc(NC(=O)Cn2c(=O)c(C)nc3ccccc32)cc1
|
C22H25N5O4S2 487.607000 |
LNIDEQPLVWKJHY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50211669; PubChem:CID134146519
|
Local ready
Direct docking supported
|
|
E3L048580
BDB048580
|
BDBM50211676
Cc1nc2ccccc2n(CC(=O)Nc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)c1=O
|
C24H27N5O5S 497.577000 |
ZDCHXGUDSGTTDJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50211676; PubChem:CID132961629
|
Local ready
Direct docking supported
|