| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000521
BDB000521
|
BDBM21836
Cc1c(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)ccc2[nH]ccc12
|
C23H25NO4 379.456000 |
BYCAERLPWMCTIO-KRWDZBQOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM21836; PubChem:CID24776389
|
Local ready
Direct docking supported
|
|
E3L000522
BDB000522
|
BDBM21837
CCCc1c(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)ccc2[nH]ccc12
|
C25H29NO4 407.510000 |
COMKHPFSTDCPRN-SFHVURJKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM21837; PubChem:CID24776390
|
Local ready
Direct docking supported
|
|
E3L000523
BDB000523
|
BDBM21838
CCCc1c(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)ccc2c1ccn2C
|
C26H31NO4 421.537000 |
IJQXLXIHFZMCIG-IBGZPJMESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM21838; PubChem:CID24776391
|
Local ready
Direct docking supported
|
|
E3L000524
BDB000524
|
BDBM21839
C=CCc1c(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)ccc2[nH]ccc12
|
C25H27NO4 405.494000 |
IRLTZHNVNZCDBC-SFHVURJKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM21839; PubChem:CID24776392
|
Local ready
Direct docking supported
|
|
E3L000525
BDB000525
|
BDBM21840
Cc1cc2cc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)ccc2[nH]1
|
C23H25NO4 379.456000 |
VWRDBVHONGAOAW-KRWDZBQOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM21840; PubChem:CID24776393
|
Local ready
Direct docking supported
|
|
E3L000526
BDB000526
|
BDBM21841
O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc4cc[nH]c4c3)ccc21
|
C22H23NO4 365.429000 |
CCVHGXZXEPGAEU-KRWDZBQOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM21841; PubChem:CID24776394
|
Local ready
Direct docking supported
|
|
E3L000527
BDB000527
|
5'-Methylthioadenosine
CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
|
C11H15N5O3S 297.340000 |
WUUGFSXJNOTRMR-IOSLPCCCSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM22111; PubChem:CID439176
|
Local ready
Direct docking supported
|
|
E3L000528
BDB000528
|
Linoleic Acid
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O
|
C18H32O2 280.452000 |
OYHQOLUKZRVURQ-HZJYTTRNSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM22231; PubChem:CID5280450
|
Local ready
Direct docking supported
|
|
E3L000529
BDB000529
|
Arachidonic Acid
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
|
C20H32O2 304.474000 |
YZXBAPSDXZZRGB-DOFZRALJSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM22319; PubChem:CID444899
|
Local ready
Direct docking supported
|
|
E3L000530
BDB000530
|
Benzil
O=C(C(=O)c1ccccc1)c1ccccc1
|
C14H10O2 210.232000 |
WURBFLDFSFBTLW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22722; PubChem:CID8651
|
Local ready
Direct docking supported
|
|
E3L000531
BDB000531
|
1-Phenyl-1,2-propanedione
CC(=O)C(=O)c1ccccc1
|
C9H8O2 148.161000 |
BVQVLAIMHVDZEL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22724; PubChem:CID11363
|
Local ready
Direct docking supported
|
|
E3L000532
BDB000532
|
Butanedione
CC(=O)C(C)=O
|
C4H6O2 86.090000 |
QSJXEFYPDANLFS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22725; PubChem:CID650
|
Local ready
Direct docking supported
|
|
E3L000533
BDB000533
|
Benzophenone
O=C(c1ccccc1)c1ccccc1
|
C13H10O 182.222000 |
RWCCWEUUXYIKHB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22726; PubChem:CID3102
|
Local ready
Direct docking supported
|
|
E3L000534
BDB000534
|
Dibenzoylmethane
O=C(CC(=O)c1ccccc1)c1ccccc1
|
C15H12O2 224.259000 |
NZZIMKJIVMHWJC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22727; PubChem:CID8433
|
Local ready
Direct docking supported
|
|
E3L000535
BDB000535
|
Benzoin
O=C(c1ccccc1)C(O)c1ccccc1
|
C14H12O2 212.248000 |
ISAOCJYIOMOJEB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22728; PubChem:CID8400
|
Local ready
Direct docking supported
|
|
E3L000536
BDB000536
|
Hydrobenzoin
OC(c1ccccc1)C(O)c1ccccc1
|
C14H14O2 214.264000 |
IHPDTPWNFBQHEB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22729; PubChem:CID95447
|
Local ready
Direct docking supported
|
|
E3L000537
BDB000537
|
4,4'-Difluorobenzil
O=C(C(=O)c1ccc(F)cc1)c1ccc(F)cc1
|
C14H8F2O2 246.212000 |
BRKULQOUSCHDGS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22730; PubChem:CID123072
|
Local ready
Direct docking supported
|
|
E3L000538
BDB000538
|
1,2-Ethanedione, 1,2-bis(4-chlorophenyl)-
O=C(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
|
C14H8Cl2O2 279.122000 |
XMAWUPHYEABFDR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22731; PubChem:CID18946
|
Local ready
Direct docking supported
|
|
E3L000539
BDB000539
|
1,2-Ethanedione, 1,2-bis(2-chlorophenyl)-
O=C(C(=O)c1ccccc1Cl)c1ccccc1Cl
|
C14H8Cl2O2 279.122000 |
VOSNNSVWVJFJCR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22732; PubChem:CID89076
|
Local ready
Direct docking supported
|
|
E3L000540
BDB000540
|
4,4'-Dibromobenzil
O=C(C(=O)c1ccc(Br)cc1)c1ccc(Br)cc1
|
C14H8Br2O2 368.024000 |
NYCBYBDDECLFPE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22733; PubChem:CID96430
|
Local ready
Direct docking supported
|