| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001841
BDB001841
|
Phenylpropanoic acid derivative, 56
Cc1oc(-c2ccccc2)nc1CCCc1ccc(CC(C(=O)O)c2ccc(-c3ccccc3)cc2)cc1
|
C34H31NO3 501.626000 |
YCJCCXANVWILMI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM34030; PubChem:CID10164032
|
Local ready
Direct docking supported
|
|
E3L001842
BDB001842
|
Phenylpropanoic acid derivative, 57
Cc1oc(-c2ccccc2)nc1CCCc1ccc(CC(C(=O)O)c2cccc(-c3ccccc3)c2)cc1
|
C34H31NO3 501.626000 |
QEVQBINBSHZTPY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM34031; PubChem:CID10164033
|
Local ready
Direct docking supported
|
|
E3L001843
BDB001843
|
Phenylpropanoic acid derivative, 59
CN(CCCc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1)c1ccccn1
|
C22H25N3O2 363.461000 |
UHNBBKCHPZLRHF-FQEVSTJZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM34032; PubChem:CID44263424
|
Local ready
Direct docking supported
|
|
E3L001844
BDB001844
|
Phenylpropanoic acid derivative, 60
CN(CCCc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1)c1ccccc1
|
C23H26N2O2 362.473000 |
MDNLTAZSVNZLIV-QFIPXVFZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM34033; PubChem:CID44263425
|
Local ready
Direct docking supported
|
|
E3L001845
BDB001845
|
Phenylpropanoic acid derivative, 66
Cc1oc(-c2ccccc2)nc1CCNc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1
|
C25H25N3O3 415.493000 |
HBGMBWWOCFYKFE-QHCPKHFHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM34034; PubChem:CID44263426
|
Local ready
Direct docking supported
|
|
E3L001846
BDB001846
|
Phenylpropanoic acid derivative, 74
Cc1oc(-c2ccccc2)nc1CNCc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1
|
C25H25N3O3 415.493000 |
NXIZZTBLFKHJCV-QHCPKHFHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM34035; PubChem:CID44263427
|
Local ready
Direct docking supported
|
|
E3L001847
BDB001847
|
Phenylpropanoic acid derivative, 75
Cc1oc(-c2ccccc2)nc1CN(C)Cc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1
|
C26H27N3O3 429.520000 |
FCXQPXFVLDZXHP-DEOSSOPVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM34036; PubChem:CID44263428
|
Local ready
Direct docking supported
|
|
E3L001848
BDB001848
|
Phenylpropanoic acid derivative, 76
CC(=O)N(Cc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1)Cc1nc(-c2ccccc2)oc1C
|
C27H27N3O4 457.530000 |
QWVMMWLVLYZWJO-VWLOTQADSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM34037; PubChem:CID44263429
|
Local ready
Direct docking supported
|
|
E3L001849
BDB001849
|
3-anilinoisoquinolin-1(2H)-one
O=c1[nH]c(Nc2ccccc2)cc2ccccc12
|
C15H12N2O 236.274000 |
UZQIOQVHUUAJOZ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34182; PubChem:CID2142225
|
Local ready
Direct docking supported
|
|
E3L001850
BDB001850
|
BDBM34396
Cc1cc(-c2nsc(=O)o2)c(S(C)(=O)=O)s1
|
C8H7NO4S3 277.348000 |
FHHPCSYCWCIXAO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM34396; PubChem:CID709292
|
Local ready
Direct docking supported
|
|
E3L001851
BDB001851
|
BDBM34414
Cc1cc(-c2nn3c(-c4ccccc4)nnc3s2)c2ccccc2n1
|
C19H13N5S 343.415000 |
HIVZYJQJXQGHHV-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM34414; PubChem:CID972436
|
Local ready
Direct docking supported
|
|
E3L001852
BDB001852
|
BDBM34449
CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
|
C16H15N3O5S 361.379000 |
ZOJZDPRLQIFCHK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM34449; PubChem:CID2210444
|
Local ready
Direct docking supported
|
|
E3L001853
BDB001853
|
BDBM34461
Clc1ccccc1-c1nn2c(-c3ccncc3)nnc2s1
|
C14H8ClN5S 313.773000 |
PDGAJDYMZOGCSB-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34461; PubChem:CID937213
|
Local ready
Direct docking supported
|
|
E3L001854
BDB001854
|
BDBM34463
c1ccc(Cc2nnc3sc(-c4ccccn4)nn23)cc1
|
C15H11N5S 293.355000 |
UZDPFXPTSKSULQ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM34463; PubChem:CID848720
|
Local ready
Direct docking supported
|
|
E3L001855
BDB001855
|
BDBM34555
Nc1c(C(=O)NCc2cccnc2)sc(=S)n1-c1ccccc1
|
C16H14N4OS2 342.449000 |
IZHWDKBLHYJPOP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM34555; PubChem:CID698207
|
Local ready
Direct docking supported
|
|
E3L001856
BDB001856
|
BDBM34581
CCC(C)NC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12
|
C19H25N5O2 355.442000 |
HEAMIFJGVRILPU-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34581; PubChem:CID662388
|
Local ready
Direct docking supported
|
|
E3L001857
BDB001857
|
BDBM34586
CN1CC2(Cc3c1ccc1ccccc31)C(=O)OC(C)(C)OC2=O
|
C19H19NO4 325.364000 |
GZYQGCVTBBFBPH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM34586; PubChem:CID666313
|
Local ready
Direct docking supported
|
|
E3L001858
BDB001858
|
6-Amino-1-ethylbenzo[cd]indol-2(1H)-one
CCN1C(=O)c2cccc3c(N)ccc1c23
|
C13H12N2O 212.252000 |
LZXPPDSORWBMRR-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34632; PubChem:CID771515
|
Local ready
Direct docking supported
|
|
E3L001859
BDB001859
|
BDBM34635
CCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12
|
C18H24N2O3 316.401000 |
HGGSYJSJSPZXSF-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34635; PubChem:CID2253328
|
Local ready
Direct docking supported
|
|
E3L001860
BDB001860
|
BDBM34637
COc1ccc(Nc2ccc3c(c2)=NC2(CCCCC2)[N+]=3[O-])cc1
|
C19H21N3O2 323.396000 |
HWFYFSNVLANFJX-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34637; PubChem:CID791069
|
Local ready
Direct docking supported
|