| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055821
BDB055821
|
BDBM50428886
O=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
|
C18H11Cl3N2O5S 473.721000 |
XFGZTBICNOYBMD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50428886; PubChem:CID71525166
|
Local ready
Direct docking supported
|
|
E3L055822
BDB055822
|
BDBM50428887
COc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
|
C18H13Cl3N2O4S 459.738000 |
RKBDMJFHOKSYPX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50428887; PubChem:CID22148735
|
Local ready
Direct docking supported
|
|
E3L055823
BDB055823
|
BDBM50428888
CCNC(=O)c1cc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)ccc1Oc1cncc(Cl)c1
|
C21H20ClN3O6S2 509.993000 |
RONQKTMVQHLWFD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50428888; PubChem:CID71525087
|
Local ready
Direct docking supported
|
|
E3L055824
BDB055824
|
BDBM50428889
CCNC(=O)c1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc1Oc1cncc(Cl)c1
|
C24H26ClN3O4S 488.009000 |
XLVAILWENPLNQX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50428889; PubChem:CID59066713
|
Local ready
Direct docking supported
|
|
E3L055825
BDB055825
|
BDBM50429477
O=C(Nc1ccc(Oc2ncnc3n[nH]cc23)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
|
C19H12ClF3N6O2 448.792000 |
NZCHGHMPHKCWLR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50429477; PubChem:CID71575642
|
Local ready
Direct docking supported
|
|
E3L055826
BDB055826
|
XL-388
Cc1c(C(=O)N2CCOc3ccc(-c4ccc(N)nc4)cc3C2)ccc(S(C)(=O)=O)c1F
|
C23H22FN3O4S 455.511000 |
LNFBAYSBVQBKFR-UHFFFAOYSA-N | O14965, P51617, Q92630 | Aurora kinase A, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50429867; PubChem:CID59604787
|
Local ready
Direct docking supported
|
|
E3L055827
BDB055827
|
K-80003
CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(C(C)C)cc1
|
C22H21FO2 336.406000 |
QCXBVGNDRYQVJO-GRSHGNNSSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50430574; PubChem:CID46224594
|
Local ready
Direct docking supported
|
|
E3L055828
BDB055828
|
BDBM50430575
CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccccc1
|
C19H15FO2 294.325000 |
MVHHIVKPIOEVNA-SXGWCWSVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50430575; PubChem:CID54588775
|
Local ready
Direct docking supported
|
|
E3L055829
BDB055829
|
BDBM50430827
Cc1noc(C)c1-c1cc(O)cc([C@H](O)c2ccccc2)c1
|
C18H17NO3 295.338000 |
FEQUIPXIENTMJN-GOSISDBHSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50430827; PubChem:CID70699440
|
Local ready
Direct docking supported
|
|
E3L055830
BDB055830
|
BDBM50430828
COCCOc1cc(-c2c(C)noc2C)cc(C(O)c2ccccc2)c1
|
C21H23NO4 353.418000 |
ZYSXDENDCMWKPK-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50430828; PubChem:CID71624902
|
Local ready
Direct docking supported
|
|
E3L055831
BDB055831
|
BDBM50430829
COc1cc(-c2c(C)noc2C)cc(C(O)c2ccccc2)c1
|
C19H19NO3 309.365000 |
IRLYXIDQTLSACW-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50430829; PubChem:CID71624901
|
Local ready
Direct docking supported
|
|
E3L055832
BDB055832
|
BDBM50430830
Cc1noc(C)c1-c1cc(OCCO)cc(C(O)c2ccccc2)c1
|
C20H21NO4 339.391000 |
VQOCJLDTMVDROS-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50430830; PubChem:CID71624903
|
Local ready
Direct docking supported
|
|
E3L055833
BDB055833
|
BDBM50430831
CCOc1cc(-c2c(C)noc2C)cc(C(O)c2cccc(Cl)c2)c1
|
C20H20ClNO3 357.837000 |
MQGBOKFUDGFFAB-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50430831; PubChem:CID71624787
|
Local ready
Direct docking supported
|
|
E3L055834
BDB055834
|
BDBM50430832
CCOc1cc(-c2c(C)noc2C)cc(C(O)c2ccc(Cl)cc2)c1
|
C20H20ClNO3 357.837000 |
XTVVTHPHTBWLMF-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50430832; PubChem:CID71624896
|
Local ready
Direct docking supported
|
|
E3L055835
BDB055835
|
BDBM50430833
CCOc1cc(-c2c(C)noc2C)cc(C(O)c2cccc(F)c2)c1
|
C20H20FNO3 341.382000 |
NJLYYCZSPVZXGR-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50430833; PubChem:CID71624785
|
Local ready
Direct docking supported
|
|
E3L055836
BDB055836
|
BDBM50430834
CCOc1cc(-c2c(C)noc2C)cc(C(O)c2ccc(F)cc2)c1
|
C20H20FNO3 341.382000 |
NCTNOXNXLUNROT-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50430834; PubChem:CID71624786
|
Local ready
Direct docking supported
|
|
E3L055837
BDB055837
|
BDBM50430835
CCOc1cc(-c2c(C)noc2C)cc(C(O)c2ccccc2)c1
|
C20H21NO3 323.392000 |
YJOGWEAGBDOZON-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50430835; PubChem:CID71624784
|
Local ready
Direct docking supported
|
|
E3L055838
BDB055838
|
Oxfbd03
CC(=O)Oc1cc(-c2c(C)noc2C)cc(C(O)c2ccccc2)c1
|
C20H19NO4 337.375000 |
BLNKHZBHJDYSGF-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50430836; PubChem:CID71624782
|
Local ready
Direct docking supported
|
|
E3L055839
BDB055839
|
BDBM50430837
Cc1noc(C)c1-c1cc(O)cc([C@@H](O)c2ccccc2)c1
|
C18H17NO3 295.338000 |
FEQUIPXIENTMJN-SFHVURJKSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50430837; PubChem:CID70699441
|
Local ready
Direct docking supported
|
|
E3L055840
BDB055840
|
EF-24
O=C1/C(=C/c2ccccc2F)CNC/C1=C\c1ccccc1F
|
C19H15F2NO 311.331000 |
NIVYQYSNRUIFIF-KAVGSWPWSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50431030; PubChem:CID9885748
|
Local ready
Direct docking supported
|