| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001821
BDB001821
|
BDBM33902
COC(=O)c1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)[nH]1
|
C15H18N4O3 302.334000 |
LVKKWCOINMSBPK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33902; PubChem:CID2314952
|
Local ready
Direct docking supported
|
|
E3L001822
BDB001822
|
5-Amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile
COc1ccc(C(=O)n2ncc(C#N)c2N)cc1
|
C12H10N4O2 242.238000 |
WUANWHWUHPZKMS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33906; PubChem:CID2405928
|
Local ready
Direct docking supported
|
|
E3L001823
BDB001823
|
[2-Oxo-2-(3-phenylpropylamino)ethyl] 4-hydroxybenzoate
O=C(COC(=O)c1ccc(O)cc1)NCCCc1ccccc1
|
C18H19NO4 313.353000 |
DBJJKOLLTRJPDJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33924; PubChem:CID2099220
|
Local ready
Direct docking supported
|
|
E3L001824
BDB001824
|
BDBM33930
COC(=O)c1nnc(NC(=O)c2ccccc2Br)[nH]1
|
C11H9BrN4O3 325.122000 |
LFZPKEYIGZKMGC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33930; PubChem:CID2314187
|
Local ready
Direct docking supported
|
|
E3L001825
BDB001825
|
N-(4-bromo-2-chlorophenyl)-N'-(3-methoxyphenyl)thiourea
COc1cccc(NC(=S)Nc2ccc(Br)cc2Cl)c1
|
C14H12BrClN2OS 371.687000 |
USVKMDPDCLYHPK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33948; PubChem:CID2803097
|
Local ready
Direct docking supported
|
|
E3L001826
BDB001826
|
BDBM33949
Cc1ccc(S(=O)(=O)Nc2cccnc2Oc2ccc(Cl)cc2)cc1
|
C18H15ClN2O3S 374.849000 |
DFDFJKHZEXROIV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33949; PubChem:CID2728373
|
Local ready
Direct docking supported
|
|
E3L001827
BDB001827
|
BDBM33951
COc1ccc(C=NNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1
|
C18H18N4O2S 354.435000 |
JDBVPCOXRNSLLB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM33951
|
Local ready
Direct docking supported
|
|
E3L001828
BDB001828
|
BDBM34017
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1
|
C25H24N2O4 416.477000 |
OCWDFPOKWYMLGH-QHCPKHFHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM34017; PubChem:CID9866595
|
Local ready
Direct docking supported
|
|
E3L001829
BDB001829
|
Phenylpropanoic acid derivative, 28
Cc1oc(-c2ccccc2)nc1CC#Cc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1
|
C26H22N2O3 410.473000 |
OZBCBUFVJIQFDB-DEOSSOPVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM34018; PubChem:CID44263416
|
Local ready
Direct docking supported
|
|
E3L001830
BDB001830
|
Phenylpropanoic acid derivative, 29
Cc1oc(-c2ccccc2)nc1CC#Cc1ccc(CC(C(=O)O)c2cccnc2)cc1
|
C27H22N2O3 422.484000 |
JANZNJGVOWUOBK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM34019; PubChem:CID44263417
|
Local ready
Direct docking supported
|
|
E3L001831
BDB001831
|
Phenylpropanoic acid derivative, 30
Cc1oc(-c2ccccc2)nc1CC#Cc1ccc(CC(C(=O)O)c2ccc(-c3ccccc3)cc2)cc1
|
C34H27NO3 497.594000 |
FKWSTDFHAXMAIN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM34020; PubChem:CID10163810
|
Local ready
Direct docking supported
|
|
E3L001832
BDB001832
|
Phenylpropanoic acid derivative, 31
Cc1oc(-c2ccccc2)nc1CC#Cc1ccc(CC(C(=O)O)c2cccc(-c3ccccc3)c2)cc1
|
C34H27NO3 497.594000 |
PWCJRVHHEVIVSL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM34021; PubChem:CID10141609
|
Local ready
Direct docking supported
|
|
E3L001833
BDB001833
|
Phenylpropanoic acid derivative, 32
CN(CC#Cc1ccc(CC(C(=O)O)n2cccc2)cc1)c1ccccn1
|
C22H21N3O2 359.429000 |
PXAWWPNIQSYFSW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM34022; PubChem:CID44263418
|
Local ready
Direct docking supported
|
|
E3L001834
BDB001834
|
Phenylpropanoic acid derivative, 33
CN(CC#Cc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1)c1ccccc1
|
C23H22N2O2 358.441000 |
XXDNJZWVKFFOLZ-QFIPXVFZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM34023; PubChem:CID44263419
|
Local ready
Direct docking supported
|
|
E3L001835
BDB001835
|
Phenylpropanoic acid derivative, 36
CN(C/C=C/c1ccc(C[C@@H](C(=O)O)n2cccc2)cc1)c1ccccn1
|
C22H23N3O2 361.445000 |
NUFSAZSMSFQENI-YJJPMGAVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM34024; PubChem:CID44263420
|
Local ready
Direct docking supported
|
|
E3L001836
BDB001836
|
Phenylpropanoic acid derivative, 40
Cc1oc(-c2ccccc2)nc1C/C=C/c1ccc(C[C@@H](C(=O)O)n2cccc2)cc1
|
C26H24N2O3 412.489000 |
ZDSICGBVBMSSBE-UROCCOEBSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM34025; PubChem:CID25014794
|
Local ready
Direct docking supported
|
|
E3L001837
BDB001837
|
Phenylpropanoic acid derivative, 41
Cc1oc(-c2ccccc2)nc1C/C=C/c1ccc(C[C@H](C(=O)O)n2cccc2)cc1
|
C26H24N2O3 412.489000 |
ZDSICGBVBMSSBE-PRSVDJLGSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM34026; PubChem:CID44263421
|
Local ready
Direct docking supported
|
|
E3L001838
BDB001838
|
Phenylpropanoic acid derivative, 44
CN(C/C=C/c1ccc(C[C@@H](C(=O)O)n2cccc2)cc1)c1ccccc1
|
C23H24N2O2 360.457000 |
SGEQJIBDLCPLBU-DORXLWPQSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM34027; PubChem:CID44263422
|
Local ready
Direct docking supported
|
|
E3L001839
BDB001839
|
Phenylpropanoic acid derivative, 54
Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@H](C(=O)O)n2cccc2)cc1
|
C26H26N2O3 414.505000 |
QPJVYLQOALFBLJ-XMMPIXPASA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM34028; PubChem:CID44263423
|
Local ready
Direct docking supported
|
|
E3L001840
BDB001840
|
Phenylpropanoic acid derivative, 55
Cc1oc(-c2ccccc2)nc1CCCc1ccc(CC(C(=O)O)c2cccnc2)cc1
|
C27H26N2O3 426.516000 |
FBTLXMKHTKDMQC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM34029; PubChem:CID10296059
|
Local ready
Direct docking supported
|