| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058341
BDB058341
|
BDBM50508577
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1C(C)(C)C
|
C18H21NO5S 363.435000 |
MFQXNLCWGLUVFN-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50508577; PubChem:CID39845054
|
Local ready
Direct docking supported
|
|
E3L058342
BDB058342
|
BDBM50508578
CCCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1C
|
C18H21NO5S 363.435000 |
KTAWOZGYMMJCRD-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50508578; PubChem:CID16645214
|
Local ready
Direct docking supported
|
|
E3L058343
BDB058343
|
BDBM50508579
O=C(O)c1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)c(Cl)cc2Cl)cc1
|
C20H14Cl2N2O5S 465.314000 |
ZRQJVMRJBGWMRM-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50508579; PubChem:CID1266319
|
Local ready
Direct docking supported
|
|
E3L058344
BDB058344
|
BDBM50508580
CCN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2OCC(=O)O)C2=C1CCCC2=O
|
C23H24BrNO5 474.351000 |
ADAUAVVRTHYGGG-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50508580; PubChem:CID1006856
|
Local ready
Direct docking supported
|
|
E3L058345
BDB058345
|
2-(2-Phenylethyl)chromone
O=c1cc(CCc2ccccc2)oc2ccccc12
|
C17H14O2 250.297000 |
VNZNWFQJBFLELF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508711; PubChem:CID441964
|
Local ready
Direct docking supported
|
|
E3L058346
BDB058346
|
4H-1-Benzopyran-4-one, 6-methoxy-2-(2-phenylethyl)-
COc1ccc2oc(CCc3ccccc3)cc(=O)c2c1
|
C18H16O3 280.323000 |
JOYYVGVYUHRBAE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508712; PubChem:CID5319482
|
Local ready
Direct docking supported
|
|
E3L058347
BDB058347
|
7-Methoxy-2-phenethylchromone
COc1ccc2c(=O)cc(CCc3ccccc3)oc2c1
|
C18H16O3 280.323000 |
BWXDUMOSQSGFDH-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508713; PubChem:CID10493001
|
Local ready
Direct docking supported
|
|
E3L058348
BDB058348
|
BDBM50508938
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)[nH]c12
|
C28H27N3O3 453.542000 |
YQKMXWUAKZDDLP-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50508938; PubChem:CID49830849
|
Local ready
Direct docking supported
|
|
E3L058349
BDB058349
|
BDBM50508943
N#Cc1cnn2c(Nc3ccc4c(c3)CCC(=O)N4)cc(N3CCC[C@H]3CO)nc12
|
C21H21N7O2 403.446000 |
YMDAAEXPGFOHGX-INIZCTEOSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50508943; PubChem:CID137649341
|
Local ready
Direct docking supported
|
|
E3L058350
BDB058350
|
BDBM50508944
CN1CCCCCOc2cc(cc3c2N(C)C(=O)CC3)Nc2cc1nc1c(C#N)cnn21
|
C23H25N7O2 431.500000 |
PTSXSYLZIAGVNX-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50508944; PubChem:CID155540902
|
Local ready
Direct docking supported
|
|
E3L058351
BDB058351
|
BDBM50508945
C[C@@H]1CCCCN(C)c2cc(n3ncc(C#N)c3n2)Nc2cc3c(c(c2)O1)N(C)C(=O)CC3
|
C24H27N7O2 445.527000 |
NREYYLHVEKNZSU-OAHLLOKOSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50508945; PubChem:CID155519879
|
Local ready
Direct docking supported
|
|
E3L058352
BDB058352
|
BDBM50508946
N#Cc1cnn2c3cc(nc12)N1CC[C@@H](C1)OC/C=C/COc1cc(cc2c1NC(=O)CC2)N3
|
C24H23N7O3 457.494000 |
SHSPHEVQWJITSP-KROLTMCQSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM50508946
|
Local ready
Direct docking supported
|
|
E3L058353
BDB058353
|
BDBM50508949
N#Cc1cnn2c(Nc3ccc4c(c3)CCC(=O)N4)cc(N3CCC[C@H]3CC(=O)O)nc12
|
C22H21N7O3 431.456000 |
HZSGYGFOUDGOKL-INIZCTEOSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50508949; PubChem:CID137348715
|
Local ready
Direct docking supported
|
|
E3L058354
BDB058354
|
BDBM50508990
C[C@@H](c1ccccc1)n1nnc2cnc3ccc(-c4cnc5[nH]ccc5c4)cc3c21
|
C24H18N6 390.450000 |
LCQSLPADLYHOIN-HNNXBMFYSA-N | O95835 | Serine/threonine-protein kinase LATS1 |
BindingDB, PubChem
BindingDB:BDBM50508990; PubChem:CID154853229
|
Local ready
Direct docking supported
|
|
E3L058355
BDB058355
|
BDBM50509365
COc1cc2c(-c3cnc(-c4ccc[nH]4)o3)c[nH]c2cc1Br
|
C16H12BrN3O2 358.195000 |
XCOSAQGGGZDYJN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50509365; PubChem:CID155559898
|
Local ready
Direct docking supported
|
|
E3L058356
BDB058356
|
breitfussin A
COc1cc(Br)cc2[nH]cc(-c3oc(-c4ccc[nH]4)nc3I)c12
|
C16H11BrIN3O2 484.091000 |
QFXGRFBNODUHIK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50509366; PubChem:CID136807986
|
Local ready
Direct docking supported
|
|
E3L058357
BDB058357
|
BDBM50509367
COc1cc(Br)cc2[nH]cc(-c3cnc(-c4cc(Br)c[nH]4)o3)c12
|
C16H11Br2N3O2 437.091000 |
DIUDONROVOIHIO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50509367; PubChem:CID155538446
|
Local ready
Direct docking supported
|
|
E3L058358
BDB058358
|
breitfussin B
COc1cc(Br)cc2[nH]cc(-c3cnc(-c4ccc(Br)[nH]4)o3)c12
|
C16H11Br2N3O2 437.091000 |
KKRMILJOOIDRQT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50509368; PubChem:CID102581295
|
Local ready
Direct docking supported
|
|
E3L058359
BDB058359
|
BDBM50509369
COc1cc(Br)cc2[nH]c(I)c(-c3cnc(-c4ccc[nH]4)o3)c12
|
C16H11BrIN3O2 484.091000 |
NDWPRZFOCQREKV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50509369; PubChem:CID155554337
|
Local ready
Direct docking supported
|
|
E3L058360
BDB058360
|
BDBM50509370
COc1cc(Br)cc2[nH]cc(-c3cnc(-c4ccc[nH]4)o3)c12
|
C16H12BrN3O2 358.195000 |
HCBIATVCCJRSKR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50509370; PubChem:CID134843302
|
Local ready
Direct docking supported
|