| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046481
BDB046481
|
BDBM50135783
CCCCCCn1c(CCc2ccc(OC(C)(C)C(=O)O)cc2)nn(Cc2cccc(OC)c2)c1=O
|
C28H37N3O5 495.620000 |
MBBHBQQBNLSENT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50135783; PubChem:CID11156185
|
Local ready
Direct docking supported
|
|
E3L046482
BDB046482
|
BDBM50136573
CN1CCN(C(=O)Nc2ccc(C[C@H](NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)C(=O)Nc3ccc(C(=O)O)cc3)cc2)CC1
|
C32H32ClN9O5 658.119000 |
NWILZYMDURQVEC-PEOFMFGLSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50136573; PubChem:CID127027635
|
Local ready
Direct docking supported
|
|
E3L046483
BDB046483
|
BDBM50136579
O=C(N[C@@H](Cc1ccccc1)C(=O)NCCc1cc(Cl)ccc1-n1cnnn1)c1ccc2[nH]c(=O)cc(O)c2c1
|
C28H24ClN7O4 557.998000 |
JAUUPTJHJIUVMZ-QHCPKHFHSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50136579; PubChem:CID59402011
|
Local ready
Direct docking supported
|
|
E3L046484
BDB046484
|
BDBM50136608
O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1
|
C26H21ClN6O4 516.945000 |
FMPAHDTULKAUPN-SYZXBLONSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50136608; PubChem:CID25166809
|
Local ready
Direct docking supported
|
|
E3L046485
BDB046485
|
BDBM50136755
COc1ccc(C2(CNC(=O)c3ccc(NC(=O)c4ccco4)cc3Cl)CCOCC2)cc1
|
C25H25ClN2O5 468.937000 |
PFKDFLVWKSDYJO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50136755; PubChem:CID89649815
|
Local ready
Direct docking supported
|
|
E3L046486
BDB046486
|
BDBM50136772
COc1ccc(C(=O)Nc2ccc(C(=O)N(c3ccncn3)c3ccccc3Cl)cc2)cc1
|
C25H19ClN4O3 458.905000 |
XGSDYBUNVFYCTB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50136772; PubChem:CID105539834
|
Local ready
Direct docking supported
|
|
E3L046487
BDB046487
|
JW 55
COc1ccc(C2(CNC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCOCC2)cc1
|
C25H26N2O5 434.492000 |
ZJZWZIXSGNFWQQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50136777; PubChem:CID2946601
|
Local ready
Direct docking supported
|
|
E3L046488
BDB046488
|
BDBM50137094
C[C@H](O)[C@@H](O)/C=C/C=C/CC/C=C/C(=O)NCC(C)(C)O
|
C16H27NO4 297.395000 |
XZFVWEROJZOTMT-KZWWLUGGSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50137094; PubChem:CID127029504
|
Local ready
Direct docking supported
|
|
E3L046489
BDB046489
|
ZP-amide A
CC(=O)/C=C/C=C/C(O)CC/C=C/C(=O)NCC(C)(C)O
|
C16H25NO4 295.379000 |
VCRNTFWOWYDPLY-LPPZWSRQSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50137095; PubChem:CID71719469
|
Local ready
Direct docking supported
|
|
E3L046490
BDB046490
|
BDBM50137096
[C]Oc1ccc([C]O[C][C]N([C][C]O[C]c2ccccc2)c2ccc([C]=C3C(=O)[N]C(=O)[N]C3=O)cc2)cc1
|
C30H13N3O6 511.449000 |
VUNBGLKKJYDEPN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50137096
|
Local ready
Direct docking supported
|
|
E3L046491
BDB046491
|
BDBM50137104
[C]Oc1ccc([C]O[C][C]N([C][C]O[C]c2ccc(O[C])cc2)c2ccc([C]=C3C(=O)[N]C(=O)[N]C3=O)cc2)cc1
|
C31H12N3O7 538.451000 |
VFDRSQUCRXSCQC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50137104
|
Local ready
Direct docking supported
|
|
E3L046492
BDB046492
|
BDBM50137105
[C]Oc1ccc([C]O[C][C]N([C][C]Oc2ccccn2)c2ccc([C]=C3C(=O)[N]C(=O)[N]C3=O)cc2)cc1
|
C28H12N4O6 500.426000 |
FLDFSUVWTUIAAV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50137105
|
Local ready
Direct docking supported
|
|
E3L046493
BDB046493
|
BDBM50137106
[C]C(=O)O[C][C]N([C][C]O[C]c1ccccc1)c1ccc([C]=C2C(=O)[N]C(=O)[N]C2=O)cc1
|
C24H9N3O6 435.351000 |
JACZESFEXYTTND-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50137106
|
Local ready
Direct docking supported
|
|
E3L046494
BDB046494
|
BDBM50137107
O=C1[N]C(=O)C(=[C]c2ccc(N([C][C]O[C]c3ccccc3)[C][C]O[C]c3ccccc3)cc2)C(=O)[N]1
|
C29H14N3O5 484.447000 |
NGCDECFZBZULCU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50137107
|
Local ready
Direct docking supported
|
|
E3L046495
BDB046495
|
BDBM50137108
N#Cc1ccc(O[C][C]N([C][C]Oc2ccc(C#N)cc2)c2ccc([C]=C3C(=O)[N]C(=O)[N]C3=O)cc2)cc1
|
C29H12N5O5 510.445000 |
AHMVTMIRKDXMRQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50137108
|
Local ready
Direct docking supported
|
|
E3L046496
BDB046496
|
BDBM50137109
O=C1[N]C(=O)C(=[C]c2ccc(O[C]c3ccccc3)cc2)C(=O)[N]1
|
C18H9N2O4 317.280000 |
CJOYYYJYXLLOIN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50137109
|
Local ready
Direct docking supported
|
|
E3L046497
BDB046497
|
BDBM50137110
O=C1[N]C(=O)C(=[C]c2ccc(N([C][C]Oc3ccc([N+](=O)[O-])cc3)[C][C]Oc3ccc([N+](=O)[O-])cc3)cc2)C(=O)[N]1
|
C27H12N5O9 550.419000 |
RRXNBEWEVRYASC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50137110
|
Local ready
Direct docking supported
|
|
E3L046498
BDB046498
|
BDBM50137111
[O][C][C]N([C][C]OC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc([C]=C2C(=O)[N]C(=O)[N]C2=O)cc1
|
C34H19N3O5 549.542000 |
CDMUEGCYEAKLII-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50137111
|
Local ready
Direct docking supported
|
|
E3L046499
BDB046499
|
BDBM50137381
Nc1ncnc2c1ncn2C1OC(C(=O)N2CCN(CC(=O)Nc3cccc4c3CNC4=O)CC2)[C@@H](O)[C@H]1O
|
C24H27N9O6 537.537000 |
DDFLFKTXUWPNMV-VZZOBAOTSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50137381; PubChem:CID44381234
|
Local ready
Direct docking supported
|
|
E3L046500
BDB046500
|
1-Cyclohexylbenzodiazole-5-carboxylic acid
O=C(O)c1ccc2c(c1)ncn2C1CCCCC1
|
C14H16N2O2 244.294000 |
VDTQDVBTYFQIPB-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50137497; PubChem:CID513903
|
Local ready
Direct docking supported
|