| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054901
BDB054901
|
BDBM50389267
Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(C(F)(F)F)cc4)c3)c12
|
C23H18F3N5O3 469.423000 |
YRMOYHYKQHTJFI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389267; PubChem:CID25175481
|
Local ready
Direct docking supported
|
|
E3L054902
BDB054902
|
BDBM50389268
Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(F)c(F)c4)c3)c12
|
C22H17F2N5O3 437.406000 |
VVUJAENYXKGABT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389268; PubChem:CID25175646
|
Local ready
Direct docking supported
|
|
E3L054903
BDB054903
|
BDBM50389269
Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Cc4cccc(F)c4)c3)c12
|
C23H19FN4O3 418.428000 |
HTIVLOYRWDRPOV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389269; PubChem:CID70688644
|
Local ready
Direct docking supported
|
|
E3L054904
BDB054904
|
BDBM50389270
Nc1noc2cccc(C(=O)Nc3cccc(CNS(=O)(=O)c4ccccc4)c3)c12
|
C21H18N4O4S 422.466000 |
OMJMLYDFJTVVNK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389270; PubChem:CID70684383
|
Local ready
Direct docking supported
|
|
E3L054905
BDB054905
|
BDBM50389320
CSc1ccccc1Nc1nc(N2CCN(C3CCNCC3)CC2)nc2c(NCC3CC3)ncnc12
|
C26H35N9S 505.696000 |
QEMQWMRZJAAQSZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389320; PubChem:CID66552478
|
Local ready
Direct docking supported
|
|
E3L054906
BDB054906
|
(9Z,11Z)-13-hydroxyoctadeca-9,11-dienoic acid
CCCCCC(O)/C=C\C=C/CCCCCCCC(=O)O
|
C18H32O3 296.451000 |
HNICUWMFWZBIFP-YUKZMVOFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50389674; PubChem:CID70690902
|
Local ready
Direct docking supported
|
|
E3L054907
BDB054907
|
9(S)-Hode
CCCCC/C=C\C=C\[C@@H](O)CCCCCCCC(=O)O
|
C18H32O3 296.451000 |
NPDSHTNEKLQQIJ-UINYOVNOSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50389675; PubChem:CID5312830
|
Local ready
Direct docking supported
|
|
E3L054908
BDB054908
|
BDBM50389676
CC(C)(Oc1ccc(CCOc2ccc(/C=C/C(=O)c3cc(Cl)ccc3O)cc2)cc1)C(=O)O
|
C27H25ClO6 480.944000 |
UXQJTPBYVFDDEK-NTUHNPAUSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50389676; PubChem:CID70682504
|
Local ready
Direct docking supported
|
|
E3L054909
BDB054909
|
BDBM50389751
CN(Cc1cccc(F)c1)C(=O)c1sc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nc1C(F)(F)F
|
C20H15F4N3O5S2 517.482000 |
VDRPYFBBLBGDEM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50389751; PubChem:CID70684618
|
Local ready
Direct docking supported
|
|
E3L054910
BDB054910
|
BDBM50389752
CN(Cc1ccccc1)C(=O)c1sc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nc1C(F)(F)F
|
C20H16F3N3O5S2 499.492000 |
OAFVIBMMYOJKFW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50389752; PubChem:CID70695112
|
Local ready
Direct docking supported
|
|
E3L054911
BDB054911
|
BDBM50389753
CN(Cc1ccccc1F)C(=O)c1sc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nc1C(F)(F)F
|
C20H15F4N3O5S2 517.482000 |
IHFHAQSESDTDBV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50389753; PubChem:CID70690927
|
Local ready
Direct docking supported
|
|
E3L054912
BDB054912
|
BDBM50389754
CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)c(C(=O)N3CCc4ccccc4C3)s2)cc1[N+](=O)[O-]
|
C21H16F3N3O5S2 511.503000 |
SWTPJUPXZUBXRV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50389754; PubChem:CID70688836
|
Local ready
Direct docking supported
|
|
E3L054913
BDB054913
|
BDBM50389755
CC1Cc2ccccc2N1C(=O)c1sc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nc1C(F)(F)F
|
C21H16F3N3O5S2 511.503000 |
MMLDRBOVCKDBGS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50389755; PubChem:CID70690926
|
Local ready
Direct docking supported
|
|
E3L054914
BDB054914
|
BDBM50389756
Cc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1CC2(C)CC1CC(C)(C)C2
|
C22H27N3O5S2 477.608000 |
YGULJBMUJUDJHX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50389756; PubChem:CID70695111
|
Local ready
Direct docking supported
|
|
E3L054915
BDB054915
|
BDBM50389757
Cc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1CCC(C)CC1
|
C18H21N3O5S2 423.516000 |
AGTYNNFZJCDCDY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50389757; PubChem:CID70682526
|
Local ready
Direct docking supported
|
|
E3L054916
BDB054916
|
BDBM50389758
CCCN(C(=O)c1csc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)n1)c1ccccc1
|
C20H19N3O5S2 445.522000 |
ZBADBMWRFHNYLK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50389758; PubChem:CID70686763
|
Local ready
Direct docking supported
|
|
E3L054917
BDB054917
|
BDBM50389759
CN(Cc1cccc(F)c1)C(=O)c1cnc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)s1
|
C19H16FN3O5S2 449.485000 |
FQPVDBNCZQKCSP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50389759; PubChem:CID70684619
|
Local ready
Direct docking supported
|
|
E3L054918
BDB054918
|
BDBM50389760
CC1CCN(C(=O)c2sc(-c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)nc2C(F)(F)F)CC1
|
C18H18F3N3O5S2 477.486000 |
ADOIUCPAWXGJSR-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50389760; PubChem:CID70695113
|
Local ready
Direct docking supported
|
|
E3L054919
BDB054919
|
BDBM50389761
CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)c(C(=O)N3CCCCC3)s2)cc1[N+](=O)[O-]
|
C17H16F3N3O5S2 463.459000 |
SUEICZCJKXGOAJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50389761; PubChem:CID70686764
|
Local ready
Direct docking supported
|
|
E3L054920
BDB054920
|
BDBM50389762
CS(=O)(=O)c1ccc(-c2ncc(C(=O)N3CCCCC3)s2)cc1[N+](=O)[O-]
|
C16H17N3O5S2 395.462000 |
BOQKMRSJVMJBHK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50389762; PubChem:CID70693065
|
Local ready
Direct docking supported
|