| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046341
BDB046341
|
1,3,4,5-Tetrahydrobenzo[c][1,6]naphthyridin-6(2H)-one
O=c1[nH]c2c(c3ccccc13)CNCC2
|
C12H12N2O 200.241000 |
GJAHAFVXSLLAOG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50131012; PubChem:CID44251671
|
Local ready
Direct docking supported
|
|
E3L046342
BDB046342
|
1,2,3,4,4a,5-hexahydrophenanthridin-6(10bH)-one
O=C1NC2CCCCC2c2ccccc21
|
C13H15NO 201.269000 |
CQQBPJQEIHYWQX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50131013; PubChem:CID345678
|
Local ready
Direct docking supported
|
|
E3L046343
BDB046343
|
BDBM50131014
O=C(CCCN1CCCCC1)N1CCc2[nH]c(=O)c3ccccc3c2C1
|
C21H27N3O2 353.466000 |
AKDIWVSXUDYBMF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50131014; PubChem:CID10155051
|
Local ready
Direct docking supported
|
|
E3L046344
BDB046344
|
BDBM50131015
O=c1[nH]c2c(c3ccc(F)cc13)CNCC2
|
C12H11FN2O 218.231000 |
XRJZNIITIHHLPU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50131015; PubChem:CID10242492
|
Local ready
Direct docking supported
|
|
E3L046345
BDB046345
|
BDBM50131016
O=C(CCN1CCC(N2CCCC2)CC1)N1CCc2[nH]c(=O)c3cc(F)ccc3c2C1
|
C24H31FN4O2 426.536000 |
LLOZCXSFXPVSID-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50131016; PubChem:CID10159521
|
Local ready
Direct docking supported
|
|
E3L046346
BDB046346
|
BDBM50131017
O=C(CCN1CCCCC1)N1CCc2[nH]c(=O)c3ccccc3c2C1
|
C20H25N3O2 339.439000 |
ACRXJNOJFFYJSF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50131017; PubChem:CID44318172
|
Local ready
Direct docking supported
|
|
E3L046347
BDB046347
|
BDBM50131018
O=C(CCN1CCC(N2CCCC2)CC1)N1CCc2[nH]c(=O)c3ccccc3c2C1
|
C24H32N4O2 408.546000 |
CLSNJXHFTFIMMB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50131018; PubChem:CID44318616
|
Local ready
Direct docking supported
|
|
E3L046348
BDB046348
|
BDBM50131019
O=C(CN1CCC(N2CCCC2)CC1)N1CCc2[nH]c(=O)c3ccccc3c2C1
|
C23H30N4O2 394.519000 |
DXYOJGMUYNMHOR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50131019; PubChem:CID44318603
|
Local ready
Direct docking supported
|
|
E3L046349
BDB046349
|
BDBM50131020
O=C(CCN1CCCCC1)N1CCc2c([nH]c(=O)c3ccccc23)C1
|
C20H25N3O2 339.439000 |
YQAGSJWYTQNVHL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50131020; PubChem:CID44318617
|
Local ready
Direct docking supported
|
|
E3L046350
BDB046350
|
1,2,3,4,5,6-Hexahydrophenanthridin-6-one
O=c1[nH]c2c(c3ccccc13)CCCC2
|
C13H13NO 199.253000 |
VBEGERRPLBTERS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50131021; PubChem:CID360876
|
Local ready
Direct docking supported
|
|
E3L046351
BDB046351
|
BDBM50131022
O=c1[nH]c2c(c3ccccc13)CN(S(=O)(=O)CCN1CCCCC1)CC2
|
C19H25N3O3S 375.494000 |
NRTSRHOHUNUCTH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50131022; PubChem:CID44318336
|
Local ready
Direct docking supported
|
|
E3L046352
BDB046352
|
BDBM50131501
CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C28H29NO5S 491.609000 |
GHELIRVIRQRXBY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50131501; PubChem:CID53838153
|
Local ready
Direct docking supported
|
|
E3L046353
BDB046353
|
BDBM50131502
O=c1[nH]c(O)c(-c2cccc(OCCCOc3ccc(Oc4ccccc4)cc3)c2)s1
|
C24H21NO5S 435.501000 |
WBUWECLXTJIHDN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50131502; PubChem:CID91932622
|
Local ready
Direct docking supported
|
|
E3L046354
BDB046354
|
BDBM50131503
CCCc1cc(Oc2ccccc2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C27H27NO5S 477.582000 |
KXIOVCNJCLEPAZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50131503; PubChem:CID54018601
|
Local ready
Direct docking supported
|
|
E3L046355
BDB046355
|
BDBM50131504
CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C27H26ClNO5S 512.027000 |
UXUHCOAFTUACEX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50131504; PubChem:CID91932623
|
Local ready
Direct docking supported
|
|
E3L046356
BDB046356
|
BDBM50131505
CCCc1cc(Oc2ccc(F)c(C)c2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C28H28FNO5S 509.599000 |
VMKLDJOUOZSYQV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50131505; PubChem:CID91932624
|
Local ready
Direct docking supported
|
|
E3L046357
BDB046357
|
BDBM50131506
CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C27H26FNO5S 495.572000 |
WGGPLPWQCBRADL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50131506; PubChem:CID54429170
|
Local ready
Direct docking supported
|
|
E3L046358
BDB046358
|
BDBM50131507
CCCc1cc(Oc2ccc(C3CCCC3)cc2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C32H35NO5S 545.701000 |
NGUFVNCEIRPTDN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50131507; PubChem:CID54110553
|
Local ready
Direct docking supported
|
|
E3L046359
BDB046359
|
BDBM50131508
CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C28H29NO6S 507.608000 |
CXEHLQSHQDGCKK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50131508; PubChem:CID53744925
|
Local ready
Direct docking supported
|
|
E3L046360
BDB046360
|
BDBM50131509
CCCc1cc(Oc2ccc(C(C)C)cc2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C30H33NO5S 519.663000 |
HJZZDPGFPQUQRM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50131509; PubChem:CID53881356
|
Local ready
Direct docking supported
|