| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L061221
BDB061221
|
2H-5,1,2-Benzoxathiazepine, 3,4-dihydro-, 1,1-dioxide
O=S1(=O)NCCOc2ccccc21
|
C8H9NO3S 199.231000 |
OMLZQCAXQZDRQH-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50575975; PubChem:CID69470608
|
Local ready
Direct docking supported
|
|
E3L061222
BDB061222
|
1-(3-Fluorophenyl)triazole
Fc1cccc(-n2ccnn2)c1
|
C8H6FN3 163.155000 |
ITZSHUOGKVOROD-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50575976; PubChem:CID13106110
|
Local ready
Direct docking supported
|
|
E3L061223
BDB061223
|
BDBM50576033
C#CCCCCC(=O)N(Cc1cc(F)c(F)c(F)c1)C(C(=O)NC(C)(C)C)c1c(C(=O)OCC)[nH]c2cc(Cl)ccc12
|
C31H33ClF3N3O4 604.069000 |
GLCVEDUJKHROJO-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50576033; PubChem:CID164618244
|
Local ready
Direct docking supported
|
|
E3L061224
BDB061224
|
BDBM50576267
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(CN)nn(-c3ccccc3)c21
|
C29H25F4N5O2 551.544000 |
QEHZKPQZGREGTJ-ZCYQVOJMSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50576267; PubChem:CID155937487
|
Local ready
Direct docking supported
|
|
E3L061225
BDB061225
|
BDBM50576306
Cn1ccc(-c2cc(C(=O)OCC(F)(F)F)ccn2)n1
|
C12H10F3N3O2 285.225000 |
TWBUILDKPBEMOR-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50576306; PubChem:CID164616135
|
Local ready
Direct docking supported
|
|
E3L061226
BDB061226
|
BDBM50576416
CCc1nnc2c3ccccc3n(CC(=O)Nc3ccccc3)c(=O)n12
|
C19H17N5O2 347.378000 |
SJYRXGJMOWWWJW-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50576416; PubChem:CID164609584
|
Local ready
Direct docking supported
|
|
E3L061227
BDB061227
|
BDBM50576417
CCc1nnc2c3ccccc3n(CC(=O)Nc3ccc(OC)cc3)c(=O)n12
|
C20H19N5O3 377.404000 |
YJCHRTRBKBTKLA-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50576417; PubChem:CID164616678
|
Local ready
Direct docking supported
|
|
E3L061228
BDB061228
|
BDBM50576418
CCc1nnc2c3ccccc3n(CC(=O)Nc3ccc(C)cc3)c(=O)n12
|
C20H19N5O2 361.405000 |
KGLACDNAMIWJHM-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50576418; PubChem:CID164621250
|
Local ready
Direct docking supported
|
|
E3L061229
BDB061229
|
BDBM50576419
CCc1nnc2c3ccccc3n(CC(=O)Nc3ccc(Br)cc3)c(=O)n12
|
C19H16BrN5O2 426.274000 |
CSFYEUANHWTLKT-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50576419; PubChem:CID164615432
|
Local ready
Direct docking supported
|
|
E3L061230
BDB061230
|
BDBM50576420
CCc1nnc2c3ccccc3n(CC(=O)Nc3ccc(Cl)cc3)c(=O)n12
|
C19H16ClN5O2 381.823000 |
LYLHBQWBKVGCML-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50576420; PubChem:CID164618366
|
Local ready
Direct docking supported
|
|
E3L061231
BDB061231
|
BDBM50576421
CCc1nnc2c3ccccc3n(CC(=O)Nc3ccc([N+](=O)[O-])cc3)c(=O)n12
|
C19H16N6O4 392.375000 |
FVQBAVVDASYZLV-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50576421; PubChem:CID164617805
|
Local ready
Direct docking supported
|
|
E3L061232
BDB061232
|
BDBM50576422
CCc1nnc2c3ccccc3n(CC(=O)Nc3cccc4ccccc34)c(=O)n12
|
C23H19N5O2 397.438000 |
GKNSYARWGKORDO-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50576422; PubChem:CID164621374
|
Local ready
Direct docking supported
|
|
E3L061233
BDB061233
|
Cdk9-IN-12
Cc1n[nH]c2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3Cl)cc12
|
C21H19ClN4O 378.863000 |
SHDGEOLPEYTGCG-FQEVSTJZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50578022; PubChem:CID162640599
|
Local ready
Direct docking supported
|
|
E3L061234
BDB061234
|
5-(4-Fluorophenyl)-3-(methylsulfanyl)-1H-pyrazole
CSc1cc(-c2ccc(F)cc2)n[nH]1
|
C10H9FN2S 208.261000 |
ZDFTZMJWTJLPRE-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50578098; PubChem:CID2737479
|
Local ready
Direct docking supported
|
|
E3L061235
BDB061235
|
4,6-Dimethylpyridin-3-amine
Cc1cc(C)c(N)cn1
|
C7H10N2 122.171000 |
SHSQTJRJQHPJRQ-UHFFFAOYSA-N | Q96T88 | E3 ubiquitin-protein ligase UHRF1 |
BindingDB, PubChem
BindingDB:BDBM50578341; PubChem:CID7060669
|
Local ready
Direct docking supported
|
|
E3L061236
BDB061236
|
BDBM50579018
O=c1cc(-c2cccc(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12
|
C30H18O9 522.465000 |
ZZBSTJJNZCCKQB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579018; PubChem:CID164623190
|
Local ready
Direct docking supported
|
|
E3L061237
BDB061237
|
BDBM50579019
O=c1cc(-c2cccc(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc34)c2)oc2cc(O)cc(O)c12
|
C30H18O10 538.464000 |
PLXCNBMXHJFAGS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579019; PubChem:CID164613225
|
Local ready
Direct docking supported
|
|
E3L061238
BDB061238
|
BDBM50579020
O=c1cc(-c2cccc(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(C(F)(F)F)cc5)oc34)c2)oc2cc(O)cc(O)c12
|
C31H17F3O8 574.463000 |
QKELJHYVBHTGEK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579020; PubChem:CID164628740
|
Local ready
Direct docking supported
|
|
E3L061239
BDB061239
|
BDBM50579021
O=c1cc(-c2cccc(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(F)cc5)oc34)c2)oc2cc(O)cc(O)c12
|
C30H17FO8 524.456000 |
ROGMDIVEUUWXEP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579021; PubChem:CID164623682
|
Local ready
Direct docking supported
|
|
E3L061240
BDB061240
|
BDBM50579022
Cc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cccc(-c5cc(=O)c6c(O)cc(O)cc6o5)c4)c3o2)cc1
|
C31H20O8 520.493000 |
CUUIHWZIFOVYPV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579022; PubChem:CID164619758
|
Local ready
Direct docking supported
|