| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002121
BDB002121
|
BDBM42234
O=C(O)c1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1
|
C21H18N2O5 378.384000 |
GGOGASVIGCGHDI-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM42234; PubChem:CID3610968
|
Local ready
Direct docking supported
|
|
E3L002122
BDB002122
|
BDBM42239
CCc1cc[n+](C2=C([N-]S(=O)(=O)c3cccs3)C(=O)c3ccccc3C2=O)cc1
|
C21H16N2O4S2 424.503000 |
HLGGHFZKCKYXFU-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM42239; PubChem:CID1925957
|
Local ready
Direct docking supported
|
|
E3L002123
BDB002123
|
BDBM42241
Cc1ccc(C(C[N+](=O)[O-])c2c(C)[nH]n(-c3ccccc3)c2=O)cc1
|
C19H19N3O3 337.379000 |
AVZIXPQZKUWQMG-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM42241; PubChem:CID4426756
|
Local ready
Direct docking supported
|
|
E3L002124
BDB002124
|
BDBM42253
COc1ccc(Nc2c(NCC=O)c(O)c3ccccc3c2O)cc1
|
C19H18N2O4 338.363000 |
HXQFOTMRXDHDDL-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM42253; PubChem:CID91896526
|
Local ready
Direct docking supported
|
|
E3L002125
BDB002125
|
BDBM42254
Cc1ccc(Nc2c(NCC=O)c(O)c3ccccc3c2O)cc1
|
C19H18N2O3 322.364000 |
AWMDCJIELYNCKW-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM42254; PubChem:CID91896527
|
Local ready
Direct docking supported
|
|
E3L002126
BDB002126
|
BDBM42262
CC(=O)NC1=C(N(C)C2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O
|
C17H18N2O5S 362.407000 |
RFZSTDNNWWRUEK-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM42262; PubChem:CID4097208
|
Local ready
Direct docking supported
|
|
E3L002127
BDB002127
|
BDBM42385
CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1cc2cc(Cl)ccc2o1
|
C24H24ClN5O2S 482.009000 |
XHJCGKGBOXIPKJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM42385; PubChem:CID2958440
|
Local ready
Direct docking supported
|
|
E3L002128
BDB002128
|
BDBM42463
CC1=C[C@@H](C)CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@]32C(=O)C=CC(=O)[C@@H]1O
|
C32H36N2O5 528.649000 |
OUMWCYMRLMEZJH-RRFIZBDMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM42463
|
Local ready
Direct docking supported
|
|
E3L002129
BDB002129
|
BDBM42504
Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)NC(C)c1ccccc1
|
C25H23N5O2S 457.559000 |
MVSPLLWBUITGNJ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM42504; PubChem:CID4896972
|
Local ready
Direct docking supported
|
|
E3L002130
BDB002130
|
BDBM42783
NC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCC2
|
C13H16N2O3S 280.349000 |
RFMLAKZJWGLPEF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM42783; PubChem:CID2970466
|
Local ready
Direct docking supported
|
|
E3L002131
BDB002131
|
BDBM43224
CCn1nc(/C=C/c2ccccc2)nc2c(=O)n(C)c(=O)nc1-2
|
C16H15N5O2 309.329000 |
BMHKZVDHCKLDME-MDZDMXLPSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM43224; PubChem:CID5756371
|
Local ready
Direct docking supported
|
|
E3L002132
BDB002132
|
BDBM43257
Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)C(c3ccccc3O)C2)cc1
|
C22H20N2O3S 392.480000 |
DZQVVFKRTCZLEB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM43257; PubChem:CID16189591
|
Local ready
Direct docking supported
|
|
E3L002133
BDB002133
|
N-(4-hydroxynaphthalen-1-yl)-4-methylbenzenesulfonamide
Cc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1
|
C17H15NO3S 313.378000 |
KZYVUYRZKKNESR-UHFFFAOYSA-N | Q09472, Q92831 | Histone acetyltransferase p300, Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM43307; PubChem:CID832572
|
Local ready
Direct docking supported
|
|
E3L002134
BDB002134
|
1-Amino-4-naphthol
Nc1ccc(O)c2ccccc12
|
C10H9NO 159.188000 |
ABJQKDJOYSQVFX-UHFFFAOYSA-N | Q09472, Q92831 | Histone acetyltransferase p300, Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM43339; PubChem:CID17815
|
Local ready
Direct docking supported
|
|
E3L002135
BDB002135
|
BDBM43342
CC(=O)Nc1c(O)nc(SCC(=O)NC(C)c2ccccc2)[nH]c1=O
|
C16H18N4O4S 362.411000 |
CTCJHNLSCJYZHW-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM43342; PubChem:CID2925442
|
Local ready
Direct docking supported
|
|
E3L002136
BDB002136
|
BDBM43343
O=C(CSc1nnc(-c2cccnc2)n1C1CCCCC1)NC1CCCCC1
|
C21H29N5OS 399.564000 |
VRLKSKNVLGQGBB-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM43343; PubChem:CID647373
|
Local ready
Direct docking supported
|
|
E3L002137
BDB002137
|
BDBM43344
O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1CC1CCCO1)C1CCCC1)OCO3
|
C23H28N6O4 452.515000 |
CKLPIFFSSMTERV-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM43344; PubChem:CID651335
|
Local ready
Direct docking supported
|
|
E3L002138
BDB002138
|
BDBM43345
CCN(CC)C(=O)CN1CCN(c2ncccn2)CC1
|
C14H23N5O 277.372000 |
WSXHFOXHJLRMHI-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM43345; PubChem:CID651793
|
Local ready
Direct docking supported
|
|
E3L002139
BDB002139
|
BDBM43346
COc1ccccc1N1CCN(C(c2ccc(C)cc2)c2nnnn2C(C)C)CC1
|
C23H30N6O 406.534000 |
HTDBSXZYBAPPEH-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM43346; PubChem:CID653974
|
Local ready
Direct docking supported
|
|
E3L002140
BDB002140
|
BDBM43347
Cc1cc(NC(=O)C2CC2)ncc1NC(=O)C12CC3CC(CC(C3)C1)C2
|
C21H27N3O2 353.466000 |
TZXDHHUMRKIWNV-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM43347; PubChem:CID655663
|
Local ready
Direct docking supported
|