| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003221
BDB003221
|
BDBM60914
CCOc1ccc(C[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
|
C39H48N4O4 636.837000 |
XNXBICLEPKJLOV-VLRPPYJTSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM60914; PubChem:CID122362656
|
Local ready
Direct docking supported
|
|
E3L003222
BDB003222
|
BDBM60996
[O]C(=O)C1=[C]C(=C(c2ccc([O])c(C([O])=O)c2)c2ccc([O])c(C([O])=O)c2)[C]=[C]C1=O
|
C22H6O9 414.281000 |
VWTPGUPXPKYBNL-UHFFFAOYSA-N | P29372 | DNA-3-methyladenine glycosylase |
BindingDB
BindingDB:BDBM60996
|
Local ready
Direct docking supported
|
|
E3L003223
BDB003223
|
SARS-CoV-2-IN-33
COc1cc(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc(OC)c1OC
|
C30H30N4O5 526.593000 |
CLWXOFDABYJHOI-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM61166; PubChem:CID2884739
|
Local ready
Direct docking supported
|
|
E3L003224
BDB003224
|
BDBM61179
O=C1C=C(Nc2ccccc2C(=O)O)c2ccccc2C1=O
|
C17H11NO4 293.278000 |
DKNWWFXZRIJCFI-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM61179; PubChem:CID3095208
|
Local ready
Direct docking supported
|
|
E3L003225
BDB003225
|
BDBM61195
O=C(NNc1cc(N2CCCC2)nc(N2CCCC2)n1)c1ccc([N+](=O)[O-])cc1
|
C19H23N7O3 397.439000 |
XMGBAJDKCRZPLQ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM61195; PubChem:CID3121369
|
Local ready
Direct docking supported
|
|
E3L003226
BDB003226
|
BDBM61197
COc1ccc(CN=Nc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1
|
C20H26N6O 366.469000 |
CHQMNGXFHWGOGE-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM61197; PubChem:CID91897465
|
Local ready
Direct docking supported
|
|
E3L003227
BDB003227
|
BDBM61198
COc1ccccc1CN=Nc1cc(N(C)C)nc(N(C)C)n1
|
C16H22N6O 314.393000 |
LOVGAQIEXBOEEJ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM61198; PubChem:CID91897466
|
Local ready
Direct docking supported
|
|
E3L003228
BDB003228
|
BDBM61210
CC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O
|
C14H12O5 260.245000 |
RSHLNQWVQAWODW-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM61210; PubChem:CID2828331
|
Local ready
Direct docking supported
|
|
E3L003229
BDB003229
|
BDBM61213
CN(C)c1cc(Cl)c2nonc2c1N
|
C8H9ClN4O 212.640000 |
UZRWNDUAEJYSCT-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM61213; PubChem:CID2038551
|
Local ready
Direct docking supported
|
|
E3L003230
BDB003230
|
BDBM61214
O=C1C(Cl)=C(N2CCC(C(=O)O)CC2)C(=O)c2ccccc21
|
C16H14ClNO4 319.744000 |
IDNPIBRUVOVNQA-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM61214; PubChem:CID949131
|
Local ready
Direct docking supported
|
|
E3L003231
BDB003231
|
N-(2-hydroxy-1,3-dioxoinden-2-yl)-3,4-dimethylbenzamide
Cc1ccc(C(=O)NC2(O)C(=O)c3ccccc3C2=O)cc1C
|
C18H15NO4 309.321000 |
TVSOMCJVQKDEQZ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM61226; PubChem:CID2810379
|
Local ready
Direct docking supported
|
|
E3L003232
BDB003232
|
BDBM61228
O=C(Cc1ccccc1Cl)NC1(O)C(=O)c2ccccc2C1=O
|
C17H12ClNO4 329.739000 |
MBMWDJSCEGUABL-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM61228; PubChem:CID2732963
|
Local ready
Direct docking supported
|
|
E3L003233
BDB003233
|
BDBM61232
COc1cc(Br)c(C(=O)c2nccc3cc(OC)c(OC)cc23)cc1OC
|
C20H18BrNO5 432.270000 |
KNIHFXMFUCCLGH-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM61232; PubChem:CID2974206
|
Local ready
Direct docking supported
|
|
E3L003234
BDB003234
|
BDBM61233
NS(=O)(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1
|
C16H12N2O4S 328.349000 |
DIHFBNUDSJVTRQ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM61233; PubChem:CID367783
|
Local ready
Direct docking supported
|
|
E3L003235
BDB003235
|
BDBM61293
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(NC(N)=O)cc1
|
C17H16N4O7 388.336000 |
RXWHRXMUQBNLKF-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM61293; PubChem:CID3372465
|
Local ready
Direct docking supported
|
|
E3L003236
BDB003236
|
Bisacodyl
CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1
|
C22H19NO4 361.397000 |
KHOITXIGCFIULA-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM61400; PubChem:CID2391
|
Local ready
Direct docking supported
|
|
E3L003237
BDB003237
|
BDBM61559
CN1Cc2c(N3CCOCC3)nc3sc(C(=O)c4ccc(Br)cc4)c(N)c3c2CC1(C)C
|
C24H27BrN4O2S 515.477000 |
UGNNMDXWWRPWRF-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM61559; PubChem:CID3727742
|
Local ready
Direct docking supported
|
|
E3L003238
BDB003238
|
BDBM61571
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCC(=O)O)C2=O)c(C)c1
|
C24H21N3O4S2 479.583000 |
CNMBEYAZXFHTTF-DEDYPNTBSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM61571; PubChem:CID1328217
|
Local ready
Direct docking supported
|
|
E3L003239
BDB003239
|
BDBM61625
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccnc2Cl)c(NC(=O)c2cccnc2Cl)c1
|
C22H21Cl2N5O4S 522.414000 |
UEQAXXYQPQATDV-UHFFFAOYSA-N | O15151, Q99728 | BRCA1-associated RING domain protein 1, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM61625; PubChem:CID3276705
|
Local ready
Direct docking supported
|
|
E3L003240
BDB003240
|
BDBM61633
CCCCCOC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(=O)O)c2)cc1
|
C27H26N2O6 474.513000 |
LWKSSHLNCJUBSP-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM61633; PubChem:CID3110120
|
Local ready
Direct docking supported
|