| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051761
BDB051761
|
BDBM50309069
C/C(=N\OCCCCO/N=C(/CCC(=O)O)c1ccccc1)c1ccc(C)c(C)c1
|
C24H30N2O4 410.514000 |
AHSPCWCKKHRZAG-WHVOXNPRSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50309069; PubChem:CID46229871
|
Local ready
Direct docking supported
|
|
E3L051762
BDB051762
|
BDBM50309070
COc1cc(/C(C)=N/OCCCCO/N=C(/CCC(=O)O)c2ccccc2)ccc1C
|
C24H30N2O5 426.513000 |
FZVUSQZMCWMVEM-LRHXISMSSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50309070; PubChem:CID46216832
|
Local ready
Direct docking supported
|
|
E3L051763
BDB051763
|
BDBM50309071
COc1cc(/C(C)=N/OCCCCO/N=C(/CCC(=O)O)c2ccccc2)ccc1F
|
C23H27FN2O5 430.476000 |
AKHWDHRUVKJZKN-TUQRYJEVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50309071; PubChem:CID46229903
|
Local ready
Direct docking supported
|
|
E3L051764
BDB051764
|
Imiglitazar
Cc1oc(-c2ccccc2)nc1COc1ccc(CO/N=C(\CCC(=O)O)c2ccccc2)cc1
|
C28H26N2O5 470.525000 |
ULVDFHLHKNJICZ-QCWLDUFUSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50309072; PubChem:CID9890879
|
Local ready
Direct docking supported
|
|
E3L051765
BDB051765
|
BDBM50309073
C/C(=N\OCCCCO/N=C(/CCC(=O)O)c1ccccc1)c1ccccc1
|
C22H26N2O4 382.460000 |
VYNRFQQHZVARSA-QZSBGCPTSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50309073; PubChem:CID46229742
|
Local ready
Direct docking supported
|
|
E3L051766
BDB051766
|
BDBM50309074
C/C(=N\OCCCCO/N=C(/CCC(=O)O)c1ccccc1)c1ccc(F)cc1
|
C22H25FN2O4 400.450000 |
ZTKJKYNPWCDJDE-QLQAMPCKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50309074; PubChem:CID46229787
|
Local ready
Direct docking supported
|
|
E3L051767
BDB051767
|
BDBM50309075
C/C(=N\OCCCCO/N=C(/CCC(=O)O)c1ccccc1)c1ccc(C)cc1
|
C23H28N2O4 396.487000 |
XCEPFGMRAXSHEE-TXAGBZNJSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50309075; PubChem:CID46229788
|
Local ready
Direct docking supported
|
|
E3L051768
BDB051768
|
BDBM50309076
COc1ccc(/C(C)=N/OCCCCO/N=C(/CCC(=O)O)c2ccccc2)cc1
|
C23H28N2O5 412.486000 |
CUXMKERULDFQJG-PFSMGOMWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50309076; PubChem:CID46216831
|
Local ready
Direct docking supported
|
|
E3L051769
BDB051769
|
BDBM50309077
C/C(=N\OCCCCO/N=C(/CCC(=O)O)c1ccccc1)c1ccc(C(F)(F)F)cc1
|
C23H25F3N2O4 450.457000 |
YTDLZTWWPSSCJG-IQPCNTPVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50309077; PubChem:CID46229789
|
Local ready
Direct docking supported
|
|
E3L051770
BDB051770
|
BDBM50309221
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC2(CCCN2)CC1
|
C23H23Cl2FN4O2 477.367000 |
HATHVQLHSBBXIA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309221; PubChem:CID46216800
|
Local ready
Direct docking supported
|
|
E3L051771
BDB051771
|
BDBM50309222
CNC(C)(C)C(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C24H26Cl2FN5O3 522.408000 |
LVAOEBJMYZUGDP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309222; PubChem:CID46216788
|
Local ready
Direct docking supported
|
|
E3L051772
BDB051772
|
BDBM50309223
Cc1c(Cc2ccc(F)c(C(=O)N3CCC4(CCCN4)CC3)c2)n[nH]c(=O)c1C
|
C22H27FN4O2 398.482000 |
WDRUPQIBBGZODL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309223; PubChem:CID24822107
|
Local ready
Direct docking supported
|
|
E3L051773
BDB051773
|
BDBM50309224
Cc1c(Cc2ccc(F)c(C(=O)N3CCC4(CCCN4C)CC3)c2)n[nH]c(=O)c1C
|
C23H29FN4O2 412.509000 |
NMXVVLRLQGYEPG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309224; PubChem:CID24822109
|
Local ready
Direct docking supported
|
|
E3L051774
BDB051774
|
BDBM50309225
CCN1CCCC12CCN(C(=O)c1cc(Cc3n[nH]c(=O)c(C)c3C)ccc1F)CC2
|
C24H31FN4O2 426.536000 |
AQCWHKJBXKYCNT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309225; PubChem:CID46230223
|
Local ready
Direct docking supported
|
|
E3L051775
BDB051775
|
BDBM50309226
Cc1c(Cc2ccc(F)c(C(=O)N3CCC4(CCNC4)CC3)c2)n[nH]c(=O)c1C
|
C22H27FN4O2 398.482000 |
AGPBKWLVIQTDCG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309226; PubChem:CID46230224
|
Local ready
Direct docking supported
|
|
E3L051776
BDB051776
|
BDBM50309227
Cc1c(Cc2ccc(F)c(C(=O)N3CCC4(CCN4)CC3)c2)n[nH]c(=O)c1C
|
C21H25FN4O2 384.455000 |
IHBHIMHRMGGICS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309227; PubChem:CID46230279
|
Local ready
Direct docking supported
|
|
E3L051777
BDB051777
|
BDBM50309228
CNC(C)(C)C(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c(C)c3C)ccc2F)CC1
|
C23H30FN5O3 443.523000 |
WHRJZXHIFTWNOU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309228; PubChem:CID24822105
|
Local ready
Direct docking supported
|
|
E3L051778
BDB051778
|
BDBM50309229
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C(C)(C)N(C)C)CC3)c2)n[nH]c(=O)c1C
|
C24H32FN5O3 457.550000 |
MNGQRBJYINPKBW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309229; PubChem:CID46230280
|
Local ready
Direct docking supported
|
|
E3L051779
BDB051779
|
BDBM50309230
CNC1(C(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c(C)c4C)ccc3F)CC2)CC1
|
C23H28FN5O3 441.507000 |
WZMSGQTWOHGSMQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309230; PubChem:CID46230281
|
Local ready
Direct docking supported
|
|
E3L051780
BDB051780
|
BDBM50309231
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4(N(C)C)CC4)CC3)c2)n[nH]c(=O)c1C
|
C24H30FN5O3 455.534000 |
WAVBTKPDIZFGSX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309231; PubChem:CID46230327
|
Local ready
Direct docking supported
|