| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047121
BDB047121
|
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
Cc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)[nH]n1
|
C18H15N5 301.353000 |
JYCUVOXSZBECAY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50162083; PubChem:CID6419766
|
Local ready
Direct docking supported
|
|
E3L047122
BDB047122
|
Venetoclax
CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1
|
C45H50ClN7O7S 868.457000 |
LQBVNQSMGBZMKD-UHFFFAOYSA-N | O96028, Q96L73, Q9BZ95 | Histone-lysine N-methyltransferase NSD2, Histone-lysine N-methyltransferase NSD3, Histone-lysine N-methyltransferase, H3 lysine-36 specific |
BindingDB, PubChem
BindingDB:BDBM50162774; PubChem:CID49846579
|
Local ready
Direct docking supported
|
|
E3L047123
BDB047123
|
BDBM50163387
O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)OCc1ccccc1
|
C24H18O6 402.402000 |
WZFYWAOWGIJOIS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50163387; PubChem:CID5429178
|
Local ready
Direct docking supported
|
|
E3L047124
BDB047124
|
BDBM50163388
CNc1ccccc(C(=O)/C=C/c2cccc(Oc3ccccc3)c2)c1=O
|
C23H19NO3 357.409000 |
ILGXCSDPVWNLLW-CCEZHUSRSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50163388; PubChem:CID5852401
|
Local ready
Direct docking supported
|
|
E3L047125
BDB047125
|
2-Hydrazinylpyrimidine-4-carboxylic acid
NNc1nccc(C(=O)O)n1
|
C5H6N4O2 154.129000 |
AVMDBCMWSSIKTF-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50163389; PubChem:CID83672127
|
Local ready
Direct docking supported
|
|
E3L047126
BDB047126
|
N'-(acridin-9-yl)pyridine-2-carbohydrazide
O=C(NNc1c2ccccc2nc2ccccc12)c1ccccn1
|
C19H14N4O 314.348000 |
DQDANBFGCYZFSZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50163390; PubChem:CID610500
|
Local ready
Direct docking supported
|
|
E3L047127
BDB047127
|
6-Bromo-3-(4-methylbenzoyl)-1-benzofuran-4,5-dione
Cc1ccc(C(=O)c2coc3c2C(=O)C(=O)C(Br)=C3)cc1
|
C16H9BrO4 345.148000 |
WKICJUBXSOGMSG-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50163392; PubChem:CID1736340
|
Local ready
Direct docking supported
|
|
E3L047128
BDB047128
|
BDBM50163393
Oc1ccccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1
|
C15H16FN5O2 317.324000 |
HUWDYOJFOOSSNI-GIJQJNRQSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50163393; PubChem:CID135487489
|
Local ready
Direct docking supported
|
|
E3L047129
BDB047129
|
BDBM50163411
O=C1c2ccccc2C(=O)c2c1ccc1c(=O)n(-c3ccc(Cl)cc3)[nH]c21
|
C21H11ClN2O3 374.783000 |
SRNXZDOELWBLAV-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50163411; PubChem:CID3126079
|
Local ready
Direct docking supported
|
|
E3L047130
BDB047130
|
9H-Xanthen-9-one, 1,4-dihydroxy-
O=c1c2ccccc2oc2c(O)ccc(O)c12
|
C13H8O4 228.203000 |
YVXJETAOWDKWOW-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50163430; PubChem:CID7099919
|
Local ready
Direct docking supported
|
|
E3L047131
BDB047131
|
BDBM50163436
CCN(C1=C(Cl)C(=O)N(c2cccc(C)c2C)C1=O)c1ccccc1
|
C20H19ClN2O2 354.837000 |
YSGHYVVKRNBODQ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50163436; PubChem:CID992337
|
Local ready
Direct docking supported
|
|
E3L047132
BDB047132
|
BDBM50163728
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)Cc2ccccc2)cc1
|
C28H28N2O4 456.542000 |
KBXHBLXYBPVCLB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50163728; PubChem:CID9825302
|
Local ready
Direct docking supported
|
|
E3L047133
BDB047133
|
BDBM50163925
C[C@H](c1ccc(Cl)cc1)N1C(=O)C=C(c2ccccc2)N(CCCCC(=O)O)C(=O)[C@@H]1c1ccc(Cl)cc1
|
C30H28Cl2N2O4 551.470000 |
BHHGNJQROMKDLQ-OLILMLBXSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50163925; PubChem:CID44390678
|
Local ready
Direct docking supported
|
|
E3L047134
BDB047134
|
BDBM50163926
C[C@H](c1ccc(Cl)cc1)N(C(=O)/C=C/c1ccccc1)[C@H](C(N)=O)c1ccc(Cl)cc1
|
C25H22Cl2N2O2 453.369000 |
YGZKZLOWLJRGSJ-YFULZTQESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50163926; PubChem:CID44390659
|
Local ready
Direct docking supported
|
|
E3L047135
BDB047135
|
BDBM50163927
O=C(O)C(c1ccccc1)N(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(I)c1
|
C23H17F3INO3 539.291000 |
QHTQZPBBQSXYLJ-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50163927; PubChem:CID44390641
|
Local ready
Direct docking supported
|
|
E3L047136
BDB047136
|
BDBM50163928
C[C@H](c1ccc(Cl)cc1)N1C(=O)C=C(c2ccccc2Br)N(CCCCC(=O)O)C(=O)[C@@H]1c1ccc(Cl)cc1
|
C30H27BrCl2N2O4 630.366000 |
MPAGIHSKIGKKGZ-XBBWARJSSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50163928; PubChem:CID11192949
|
Local ready
Direct docking supported
|
|
E3L047137
BDB047137
|
BDBM50164208
CCCc1cc2c(OC)noc2c(CCC)c1OC(C)(C)C(=O)O
|
C18H25NO5 335.400000 |
OOLAPGQQNIFHGH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50164208; PubChem:CID9902264
|
Local ready
Direct docking supported
|
|
E3L047138
BDB047138
|
BDBM50164209
CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OCC(C)(C)C(=O)O
|
C19H24F3NO4 387.398000 |
RYGRTZWSBJRQOU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50164209; PubChem:CID11383635
|
Local ready
Direct docking supported
|
|
E3L047139
BDB047139
|
BDBM50164210
CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OC(C)(C)C(=O)O
|
C18H22F3NO4 373.371000 |
RUIWUDJYVYEUJX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50164210; PubChem:CID10292707
|
Local ready
Direct docking supported
|
|
E3L047140
BDB047140
|
BDBM50164211
CCCc1c(OC(C)(C)C(=O)O)ccc2c(C(F)(F)F)noc12
|
C15H16F3NO4 331.290000 |
JYSPMAJXLWXDMZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50164211; PubChem:CID11416269
|
Local ready
Direct docking supported
|