| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L059761
BDB059761
|
BDBM50535440
CC(C)(Oc1ccc(OCCc2ccc(/N=N/c3ccc(C(F)(F)F)cc3)cc2)cc1)C(=O)O
|
C25H23F3N2O4 472.463000 |
IVNPTURJCAQYEW-QVIHXGFCSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50535440
|
Local ready
Direct docking supported
|
|
E3L059762
BDB059762
|
BDBM50535441
CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccc(C#N)cc3)cc2)cc1)C(=O)O
|
C25H23N3O4 429.476000 |
VOSOHADSHGYQNQ-BYYHNAKLSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50535441
|
Local ready
Direct docking supported
|
|
E3L059763
BDB059763
|
BDBM50535728
CCCCc1nc(C(C)C)c(Cc2nc(C3CC3)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C32H34N6O4 566.662000 |
YBPWYCHBWQIFFE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50535728; PubChem:CID153392677
|
Local ready
Direct docking supported
|
|
E3L059764
BDB059764
|
BDBM50535729
CCCCc1nc(C)c(Cc2nc(COC)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C29H30N6O5 542.596000 |
NJWVZVQFYWDHFR-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50535729; PubChem:CID153392704
|
Local ready
Direct docking supported
|
|
E3L059765
BDB059765
|
BDBM50535730
CCCCc1nc(C(C)C)c(Cc2nc(C)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C30H32N6O4 540.624000 |
KIYVBGBMCNENMR-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50535730; PubChem:CID153392752
|
Local ready
Direct docking supported
|
|
E3L059766
BDB059766
|
BDBM50535731
CCCCc1nc(C)c(Cc2nc(C3CC3)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C30H30N6O4 538.608000 |
ZMPKEQDAUNENMS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50535731; PubChem:CID153392705
|
Local ready
Direct docking supported
|
|
E3L059767
BDB059767
|
BDBM50535732
CCCCc1nc(C)c(Cc2nc(Cc3ccc(F)cc3)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C34H31FN6O4 606.658000 |
NJOPHQXHSKMQCH-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50535732; PubChem:CID153392760
|
Local ready
Direct docking supported
|
|
E3L059768
BDB059768
|
BDBM50535733
CCCCc1nc(C(C)C)c(Cc2nc(Cc3ccc(F)cc3)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C36H35FN6O4 634.712000 |
JTLTXYUEJGTLCX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50535733; PubChem:CID153392690
|
Local ready
Direct docking supported
|
|
E3L059769
BDB059769
|
BDBM50535734
CCCCc1nc(C)c(Cc2nc(C(C)C)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C30H32N6O4 540.624000 |
UGHPBPUBHFOYKQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50535734; PubChem:CID153392654
|
Local ready
Direct docking supported
|
|
E3L059770
BDB059770
|
BDBM50535735
CCCCc1nc(C)c(Cc2nc(Cc3cc(F)cc(F)c3)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C34H30F2N6O4 624.648000 |
XAMMMFLSRWKQCS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50535735; PubChem:CID153392749
|
Local ready
Direct docking supported
|
|
E3L059771
BDB059771
|
BDBM50535736
CCCCc1nc(C)c(Cc2nc(CCOC)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C30H32N6O5 556.623000 |
LXIIFVWGTIEXEF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50535736; PubChem:CID153392707
|
Local ready
Direct docking supported
|
|
E3L059772
BDB059772
|
BDBM50535737
CCCCc1nc(C)c(Cc2nc(C(C)(C)C)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C31H34N6O4 554.651000 |
NFWXOLWPQYHMBW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50535737; PubChem:CID138911343
|
Local ready
Direct docking supported
|
|
E3L059773
BDB059773
|
BDBM50535738
CCCCc1nc(C(C)C)c(Cc2nc(Cc3ccccc3)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C36H36N6O4 616.722000 |
GOCJQQPZHKFCJZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50535738; PubChem:CID153392648
|
Local ready
Direct docking supported
|
|
E3L059774
BDB059774
|
BDBM50535739
CCCCc1nc(C)c(Cc2nc(Cc3cccc(F)c3)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C34H31FN6O4 606.658000 |
MQTVYGDDBCTENY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50535739; PubChem:CID153392663
|
Local ready
Direct docking supported
|
|
E3L059775
BDB059775
|
BDBM50535740
CCCCc1nc(C(C)C)c(Cc2nc(C(C)(C)C)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C33H38N6O4 582.705000 |
OFKCDDLAZLTQMV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50535740; PubChem:CID153392659
|
Local ready
Direct docking supported
|
|
E3L059776
BDB059776
|
BDBM50535741
CCCCc1nc(C)c(Cc2nc(Cc3ccccc3)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C34H32N6O4 588.668000 |
QSCJQARBOMRQCQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50535741; PubChem:CID153392788
|
Local ready
Direct docking supported
|
|
E3L059777
BDB059777
|
BDBM50536410
COc1ncc(-c2cc3c(c(NC(=O)CN4CCOCC4)c2)COC3)cc1NS(C)(=O)=O
|
C21H26N4O6S 462.528000 |
INNGAVFDQLSCJJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50536410; PubChem:CID134957362
|
Local ready
Direct docking supported
|
|
E3L059778
BDB059778
|
BDBM50536675
O=C(NCC(F)(F)F)c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cs1
|
C26H26F3N5O2S 529.588000 |
QNABDSWBQJKBHK-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50536675; PubChem:CID24759534
|
Local ready
Direct docking supported
|
|
E3L059779
BDB059779
|
BDBM50536678
Cn1cc(-c2cnc3c(-c4csc(C(=O)NCC(F)(F)F)c4)cnn3c2)cn1
|
C17H13F3N6OS 406.393000 |
UEFCSGDOOJJXTN-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50536678; PubChem:CID59603829
|
Local ready
Direct docking supported
|
|
E3L059780
BDB059780
|
BDBM50536679
Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1
|
C21H23N7OS 421.530000 |
LYADGAGFYYXXIO-ZWKOTPCHSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50536679; PubChem:CID59603842
|
Local ready
Direct docking supported
|