| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055781
BDB055781
|
BDBM50428273
Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)ccc1F
|
C19H21FN4O3 372.400000 |
QHEDRWKYLRDRMG-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50428273; PubChem:CID71717063
|
Local ready
Direct docking supported
|
|
E3L055782
BDB055782
|
BDBM50428274
CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccc(F)cc2Cl)CC1
|
C18H18ClFN4O3 392.818000 |
WYHSEIRNBDYXNL-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50428274; PubChem:CID71717062
|
Local ready
Direct docking supported
|
|
E3L055783
BDB055783
|
BDBM50428737
O=NC(Cc1cc(Br)c(O)c(-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)c1)C(=O)NCCc1ccc(O)c(Br)c1
|
C34H30Br4N4O8 942.250000 |
KSBCGWKXTJXPLL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50428737
|
Local ready
Direct docking supported
|
|
E3L055784
BDB055784
|
BDBM50428738
O=NC(Cc1cc(Br)c(O)c(Oc2ccc(CCNC(=O)C(Cc3cc(Br)c(O)c(-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)c3)N=O)cc2Br)c1)C(=O)NCCc1ccc(O)c(Br)c1
|
C51H44Br6N6O12 1412.367000 |
HJVFTUSVRMGBLM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50428738
|
Local ready
Direct docking supported
|
|
E3L055785
BDB055785
|
BDBM50428740
O=NC1Cc2cc(Br)c(c(Br)c2)Oc2cc(cc(Br)c2O)CC(N=O)C(=O)NCCc2cc(Br)c(c(Br)c2)Oc2cc(ccc2O)CCNC1=O
|
C34H27Br5N4O8 1019.130000 |
UANKKVHUCCKCOK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50428740
|
Local ready
Direct docking supported
|
|
E3L055786
BDB055786
|
BDBM50428826
[C]Oc1cc([C][C]c2ccccc2)c(C([O])=O)c([O])c1[C]/[C]=C(\[C])[C][C][C]=C([C])[C]
|
C26H6O4 382.330000 |
AOFZKACZCBVRHL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50428826
|
Local ready
Direct docking supported
|
|
E3L055787
BDB055787
|
BDBM50428827
[C][C][C][C][C]c1cc(O[C])c([C][C]=C([C])[C])c([O])c1C([O])=O
|
C18HO4 281.202000 |
RJSAUNVVGXIVOH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50428827
|
Local ready
Direct docking supported
|
|
E3L055788
BDB055788
|
BDBM50428853
CCOC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Oc1cncc(Cl)c1
|
C20H16Cl2N2O5S 467.330000 |
ATATWYPMZHQPEU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50428853; PubChem:CID2800607
|
Local ready
Direct docking supported
|
|
E3L055789
BDB055789
|
Amg-131
O=S(=O)(Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(Cl)cc1Cl
|
C21H12Cl4N2O3S 514.217000 |
NMRWDFUZLLQSBN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50428854; PubChem:CID10229498
|
Local ready
Direct docking supported
|
|
E3L055790
BDB055790
|
BDBM50428855
O=S(=O)(Nc1ccc(Oc2cnc3ccccc3c2)c(F)c1)c1ccc(Cl)cc1Cl
|
C21H13Cl2FN2O3S 463.317000 |
ZTGVHNBZFLSODQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50428855; PubChem:CID71525221
|
Local ready
Direct docking supported
|
|
E3L055791
BDB055791
|
BDBM50428856
CC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cnc2ccccc2c1
|
C23H16Cl2N2O4S 487.364000 |
QHTHSQXFWCRPEY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50428856; PubChem:CID71525223
|
Local ready
Direct docking supported
|
|
E3L055792
BDB055792
|
BDBM50428857
O=S(=O)(Nc1ccc(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(Cl)cc1Cl
|
C21H13Cl3N2O3S 479.772000 |
ZPKQAKFFLWOJGU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50428857; PubChem:CID71525220
|
Local ready
Direct docking supported
|
|
E3L055793
BDB055793
|
BDBM50428858
O=S(=O)(Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(C(F)(F)F)cc1Cl
|
C22H12Cl3F3N2O3S 547.769000 |
PVGMGRKQQQTCKN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50428858; PubChem:CID71525222
|
Local ready
Direct docking supported
|
|
E3L055794
BDB055794
|
BDBM50428859
O=S(=O)(Nc1ccc(Oc2ccc3ccccc3c2)c(Cl)c1)c1ccc(Cl)cc1Cl
|
C22H14Cl3NO3S 478.784000 |
HXAQNJVOIBPHCD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50428859; PubChem:CID71525259
|
Local ready
Direct docking supported
|
|
E3L055795
BDB055795
|
BDBM50428860
CCNC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1Oc1cncc(Cl)c1
|
C21H20ClN3O5S 461.927000 |
RPQZTDAFWZHQAD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50428860; PubChem:CID12109366
|
Local ready
Direct docking supported
|
|
E3L055796
BDB055796
|
BDBM50428861
O=S(=O)(Nc1ccc(Oc2cncc(Cl)c2)cc1)c1ccc(Cl)cc1Cl
|
C17H11Cl3N2O3S 429.712000 |
NDJHCHIRFDMKCN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50428861; PubChem:CID22993874
|
Local ready
Direct docking supported
|
|
E3L055797
BDB055797
|
BDBM50428862
Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
|
C18H13Cl3N2O3S 443.739000 |
QFNZJYYBROPINR-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50428862; PubChem:CID22993865
|
Local ready
Direct docking supported
|
|
E3L055798
BDB055798
|
BDBM50428863
CS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
|
C18H13Cl3N2O5S2 507.804000 |
HKTCATSIOBBJNZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50428863; PubChem:CID71718932
|
Local ready
Direct docking supported
|
|
E3L055799
BDB055799
|
BDBM50428864
O=S(=O)(Nc1cc(Cl)c(Oc2cncc(Cl)c2)c(Cl)c1)c1ccc(Cl)cc1Cl
|
C17H9Cl5N2O3S 498.602000 |
LIMFSRUCVSKRHN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50428864; PubChem:CID11249025
|
Local ready
Direct docking supported
|
|
E3L055800
BDB055800
|
BDBM50428865
O=S(=O)(Nc1cc(Cl)c(Oc2ccc3ncccc3c2)c(Cl)c1)c1ccc(Cl)cc1Cl
|
C21H12Cl4N2O3S 514.217000 |
BZNKJBLTXSCEIN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50428865; PubChem:CID58031728
|
Local ready
Direct docking supported
|