| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057561
BDB057561
|
BDBM50472040
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccc(C(=O)O)cc2)C(=O)O)cc1
|
C35H30N2O7 590.632000 |
BPRSEMNWYSSWPV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50472040; PubChem:CID44364872
|
Local ready
Direct docking supported
|
|
E3L057562
BDB057562
|
BDBM50472041
CCCOC(=O)c1ccccc1NC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O
|
C31H32N2O6 528.605000 |
XIWMIXZBGBMMEE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50472041; PubChem:CID44364682
|
Local ready
Direct docking supported
|
|
E3L057563
BDB057563
|
BDBM50472042
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(Nc2ccccc2C(=O)O)C(=O)O)cc1
|
C28H26N2O6 486.524000 |
NUURRNZEJFRPSU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50472042; PubChem:CID10600977
|
Local ready
Direct docking supported
|
|
E3L057564
BDB057564
|
BDBM50472043
CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1
|
C32H29N3O5 535.600000 |
ZZLLEVLMZDJINU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50472043; PubChem:CID21700457
|
Local ready
Direct docking supported
|
|
E3L057565
BDB057565
|
BDBM50472044
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccc(CO)cc2)C(=O)O)cc1
|
C35H32N2O6 576.649000 |
WVGWSUASRKELLX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50472044; PubChem:CID44364769
|
Local ready
Direct docking supported
|
|
E3L057566
BDB057566
|
BDBM50472045
CN(CCOc1ccc(CC(Nc2ccsc2C(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1
|
C30H27N3O5S 541.629000 |
NUSIKGTVAZPOLW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50472045; PubChem:CID10840203
|
Local ready
Direct docking supported
|
|
E3L057567
BDB057567
|
BDBM50472046
Cc1ccc(NC(Cc2ccc(OCCN(C)c3nc4ccccc4o3)cc2)C(=O)O)c(C(=O)c2ccccc2)c1
|
C33H31N3O5 549.627000 |
CLDWIYLTZCNVHQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50472046; PubChem:CID10721362
|
Local ready
Direct docking supported
|
|
E3L057568
BDB057568
|
BDBM50472047
Cc1ccccc1C(=O)c1ccccc1NC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O
|
C33H31N3O5 549.627000 |
JKCJSSANBKMGDW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50472047; PubChem:CID10650300
|
Local ready
Direct docking supported
|
|
E3L057569
BDB057569
|
BDBM50472048
CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccsc2)C(=O)O)cc1)c1nc2ccccc2o1
|
C30H27N3O5S 541.629000 |
MTJGDVOVFAJDIN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50472048; PubChem:CID10506648
|
Local ready
Direct docking supported
|
|
E3L057570
BDB057570
|
BDBM50472049
CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)C2CCCCC2)C(=O)O)cc1)c1nc2ccccc2o1
|
C32H35N3O5 541.648000 |
YQSQUWWQEJSFGZ-NDEPHWFRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50472049; PubChem:CID10674028
|
Local ready
Direct docking supported
|
|
E3L057571
BDB057571
|
BDBM50472050
CN(CCOc1ccc(C[C@@H](Nc2ccccc2C(=O)C2CCCCC2)C(=O)O)cc1)c1nc2ccccc2o1
|
C32H35N3O5 541.648000 |
YQSQUWWQEJSFGZ-MUUNZHRXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50472050; PubChem:CID10697739
|
Local ready
Direct docking supported
|
|
E3L057572
BDB057572
|
BDBM50472051
CN(CCOc1ccc(CC(Nc2ccncc2C(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1
|
C31H28N4O5 536.588000 |
GIVAHXDXIGPVBU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50472051; PubChem:CID10744911
|
Local ready
Direct docking supported
|
|
E3L057573
BDB057573
|
BDBM50472052
CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2cccc3ccccc23)C(=O)O)cc1)c1nc2ccccc2o1
|
C36H31N3O5 585.660000 |
XKFGSRFZGHVKHK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50472052; PubChem:CID10698557
|
Local ready
Direct docking supported
|
|
E3L057574
BDB057574
|
BDBM50472053
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(Nc2ccccc2C(=O)c2cccc(C(=O)O)c2)C(=O)O)cc1
|
C35H30N2O7 590.632000 |
SFNALBHHDKEQGP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50472053; PubChem:CID44364953
|
Local ready
Direct docking supported
|
|
E3L057575
BDB057575
|
3-Chloro-6-(1-piperazinyl)pyridazine
Clc1ccc(N2CCNCC2)nn1
|
C8H11ClN4 198.657000 |
DXPPQFXYIZTQCV-UHFFFAOYSA-N | Q12830 | Nucleosome-remodeling factor subunit BPTF |
BindingDB, PubChem
BindingDB:BDBM50473425; PubChem:CID5294926
|
Local ready
Direct docking supported
|
|
E3L057576
BDB057576
|
Hexylitaconic Acid
C=C(C(=O)O)C(CCCCCC)C(=O)O
|
C11H18O4 214.261000 |
HKMDCNSGDQBQLI-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50475573; PubChem:CID11447214
|
Local ready
Direct docking supported
|
|
E3L057577
BDB057577
|
Altertoxin I
O=C1C[C@H](O)[C@@H]2c3c(ccc(O)c31)-c1ccc(O)c3c1[C@@]2(O)CCC3=O
|
C20H16O6 352.342000 |
GJIALGLHOBXNAT-KPOBHBOGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479261; PubChem:CID104860
|
Local ready
Direct docking supported
|
|
E3L057578
BDB057578
|
Alterlactone
COc1cc(O)c2c(c1)-c1cc(O)c(O)cc1COC2=O
|
C15H12O6 288.255000 |
JAAWVSLYMPCCOD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479262; PubChem:CID24899917
|
Local ready
Direct docking supported
|
|
E3L057579
BDB057579
|
Desmethylaltenusin
Cc1cc(O)c(O)cc1-c1cc(O)cc(O)c1C(=O)O
|
C14H12O6 276.244000 |
LACFACJZTLCIGY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479263; PubChem:CID24900160
|
Local ready
Direct docking supported
|
|
E3L057580
BDB057580
|
Alternariol 5-O-Sulfate
Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(=O)(=O)O)cc3c12
|
C14H10O8S 338.293000 |
IOBDCMVQCAWFQQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479264; PubChem:CID24899915
|
Local ready
Direct docking supported
|