| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001721
BDB001721
|
Phenylpropanoic acid derivative, 17b
Cc1cc(C(Cc2ccc(CCCc3nc(-c4ccccc4)oc3C)cc2)C(=O)O)no1
|
C26H26N2O4 430.504000 |
QDBMFRPMKUDTGG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM33286; PubChem:CID10296330
|
Local ready
Direct docking supported
|
|
E3L001722
BDB001722
|
Phenylpropanoic acid derivative, 17c
Cc1cc(C(Cc2ccc(CCCc3nc(-c4ccccc4)oc3C)cc2)C(=O)O)on1
|
C26H26N2O4 430.504000 |
MFMKMCYXEFZRGM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM33287; PubChem:CID10113516
|
Local ready
Direct docking supported
|
|
E3L001723
BDB001723
|
Phenylpropanoic acid derivative, 17d
Cc1oc(-c2ccccc2)nc1CCCc1ccc(CC(C(=O)O)n2cccn2)cc1
|
C25H25N3O3 415.493000 |
RCUTXJICVDHZFT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM33288; PubChem:CID10223583
|
Local ready
Direct docking supported
|
|
E3L001724
BDB001724
|
Phenylpropanoic acid derivative, 17e
Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@@H](C(=O)O)n2cccn2)cc1
|
C25H25N3O3 415.493000 |
RCUTXJICVDHZFT-QHCPKHFHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM33289; PubChem:CID44246274
|
Local ready
Direct docking supported
|
|
E3L001725
BDB001725
|
Phenylpropanoic acid derivative, 17f
Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@H](C(=O)O)n2cccn2)cc1
|
C25H25N3O3 415.493000 |
RCUTXJICVDHZFT-HSZRJFAPSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM33290; PubChem:CID44246275
|
Local ready
Direct docking supported
|
|
E3L001726
BDB001726
|
Phenylpropanoic acid derivative, 17g
Cc1oc(-c2ccccc2)nc1CCCc1ccc(CC(C(=O)O)n2cncn2)cc1
|
C24H24N4O3 416.481000 |
XVJXEKYLXFKVRG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM33291; PubChem:CID10136665
|
Local ready
Direct docking supported
|
|
E3L001727
BDB001727
|
Phenylpropanoic acid derivative, 17h
Cc1oc(-c2ccccc2)nc1CCCc1ccc(CC(C(=O)O)n2ccnn2)cc1
|
C24H24N4O3 416.481000 |
XKEQYIWVQUGPSH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM33292; PubChem:CID10112604
|
Local ready
Direct docking supported
|
|
E3L001728
BDB001728
|
BDBM33293
Cc1oc(-c2ccccc2)nc1CCCc1ccc(CC(C(=O)O)n2nccn2)cc1
|
C24H24N4O3 416.481000 |
MBNINRCJDJMURD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM33293; PubChem:CID10202000
|
Local ready
Direct docking supported
|
|
E3L001729
BDB001729
|
BDBM33294
Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@@H](C(=O)O)n2nccn2)cc1
|
C24H24N4O3 416.481000 |
MBNINRCJDJMURD-QFIPXVFZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM33294; PubChem:CID11339029
|
Local ready
Direct docking supported
|
|
E3L001730
BDB001730
|
Phenylpropanoic acid derivative, 17k
Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@H](C(=O)O)n2nccn2)cc1
|
C24H24N4O3 416.481000 |
MBNINRCJDJMURD-JOCHJYFZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM33295; PubChem:CID44246276
|
Local ready
Direct docking supported
|
|
E3L001731
BDB001731
|
Phenylpropanoic acid derivative, 17l
Cc1oc(-c2ccccc2)nc1CCCc1ccc(CC(C(=O)O)c2ccccc2)cc1
|
C28H27NO3 425.528000 |
OSSJMBVEKCHVPM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM33296; PubChem:CID10137230
|
Local ready
Direct docking supported
|
|
E3L001732
BDB001732
|
BDBM33422
O=C(NCc1ccccn1)c1cn(CCc2ccccc2)nn1
|
C17H17N5O 307.357000 |
LEALFBGHVXXBON-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33422; PubChem:CID644529
|
Local ready
Direct docking supported
|
|
E3L001733
BDB001733
|
BDBM33423
O=C(C1CCC1)N(CCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1
|
C22H23N3O2 361.445000 |
JYIYTXKQMWWSHX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33423; PubChem:CID135417708
|
Local ready
Direct docking supported
|
|
E3L001734
BDB001734
|
BDBM33424
O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1
|
C18H17FN2O3 328.343000 |
MCOSLRRJMQQCLE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33424; PubChem:CID647876
|
Local ready
Direct docking supported
|
|
E3L001735
BDB001735
|
BDBM33425
O=C(c1ccccc1)N1CCCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[nH]2)C1
|
C23H22N6O2 414.469000 |
LPIUNLQZZIKWNV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33425; PubChem:CID135450635
|
Local ready
Direct docking supported
|
|
E3L001736
BDB001736
|
BDBM33426
COc1ccc(C(=O)n2nc(-c3ccc(C)cc3)nc2N)cc1OC
|
C18H18N4O3 338.367000 |
FFDMJRPXWNAPBP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33426; PubChem:CID654458
|
Local ready
Direct docking supported
|
|
E3L001737
BDB001737
|
BDBM33427
CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccco1
|
C17H13NO2S3 359.497000 |
WDRUXMWBQABAFO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33427; PubChem:CID565200
|
Local ready
Direct docking supported
|
|
E3L001738
BDB001738
|
BDBM33428
Cc1cc(NC(=O)C(C)C)ncc1NC(=O)Cc1ccccc1
|
C18H21N3O2 311.385000 |
QWBLWMVHIOYAJB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33428; PubChem:CID656326
|
Local ready
Direct docking supported
|
|
E3L001739
BDB001739
|
BDBM33429
O=C(Nc1nc2n(n1)C(c1ccc(Cl)cc1)CC(c1ccc(Cl)cc1)N2)c1ccco1
|
C22H17Cl2N5O2 454.317000 |
IYQCXUQBJZSNKQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33429; PubChem:CID664173
|
Local ready
Direct docking supported
|
|
E3L001740
BDB001740
|
BDBM33430
FC(F)(F)c1cnc(Oc2ccc(-c3nnco3)cc2)c(Cl)c1
|
C14H7ClF3N3O2 341.676000 |
MGCLHINABSYDRQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33430; PubChem:CID2550764
|
Local ready
Direct docking supported
|