| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063221
BDB063221
|
BDBM50615135
C[C@H]1CCCc2c1cc(C(=O)Nc1ccccc1)c(=O)n2C
|
C18H20N2O2 296.370000 |
JGGQUZLRSUXFRA-LBPRGKRZSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50615135; PubChem:CID168129459
|
Local ready
Direct docking supported
|
|
E3L063222
BDB063222
|
BDBM50615136
C[C@@H]1CCCc2c1cc(C(=O)Nc1ccccc1)c(=O)n2C
|
C18H20N2O2 296.370000 |
JGGQUZLRSUXFRA-GFCCVEGCSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50615136; PubChem:CID168129468
|
Local ready
Direct docking supported
|
|
E3L063223
BDB063223
|
BDBM50615137
CC1CCc2c1cc(C(=O)Nc1ncc(F)s1)c(=O)n2C
|
C14H14FN3O2S 307.350000 |
GOMJNZWOVBQSFV-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50615137; PubChem:CID168129546
|
Local ready
Direct docking supported
|
|
E3L063224
BDB063224
|
Isaglitazone
O=C1NC(=O)C(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)S1
|
C21H16FNO3S 381.428000 |
PKWDZWYVIHVNKS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50615199; PubChem:CID204109
|
Local ready
Direct docking supported
|
|
E3L063225
BDB063225
|
BDBM50615250
COC(=O)/C(=C\c1cc(OC)cc(OC)c1)c1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc1
|
C28H25NO7S 519.575000 |
IVAQJHSXBVHUQT-OYKKKHCWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50615250; PubChem:CID15541468
|
Local ready
Direct docking supported
|
|
E3L063226
BDB063226
|
BDBM50615251
C/C(=N/OCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccc(-c2ccccc2)nc1
|
C25H23N3O4S 461.543000 |
NQMQRRVMTPZWOL-QRQIAZFYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50615251; PubChem:CID88058806
|
Local ready
Direct docking supported
|
|
E3L063227
BDB063227
|
BDBM50615275
C/C=C/Cn1cc(-c2ccc(C(C)(C)O)cc2OC)c2cc[nH]c2c1=O
|
C21H24N2O3 352.434000 |
GVJYOLRRZZUUOE-AATRIKPKSA-N | O15164, Q09472, Q12830, Q92793, Q92831 | Histone acetyltransferase KAT2B, Nucleosome-remodeling factor subunit BPTF, CREB-binding protein, Transcription intermediary factor 1-alpha, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50615275; PubChem:CID121335254
|
Local ready
Direct docking supported
|
|
E3L063228
BDB063228
|
BDBM50615276
C/C=C/Cn1cc(-c2ccc(C(=O)N3CCOCC3)cc2)c2cc[nH]c2c1=O
|
C22H23N3O3 377.444000 |
JGOZUFGBTSAWEI-NSCUHMNNSA-N | O15164, Q09472, Q12830, Q92793, Q92831 | Nucleosome-remodeling factor subunit BPTF, Histone acetyltransferase p300, Histone acetyltransferase KAT2B, Transcription intermediary factor 1-alpha, CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50615276; PubChem:CID121335206
|
Local ready
Direct docking supported
|
|
E3L063229
BDB063229
|
BDBM50615314
Cc1nc2ccccc2n1-c1nncc(Nc2ccc(C(F)(F)F)cc2)n1
|
C18H13F3N6 370.338000 |
APFOLUQGDALUMQ-UHFFFAOYSA-N | P35226 | Polycomb complex protein BMI-1 |
BindingDB, PubChem
BindingDB:BDBM50615314; PubChem:CID118102012
|
Local ready
Direct docking supported
|
|
E3L063230
BDB063230
|
BDBM50615315
CCc1nc2ccccc2n1-c1nncc(Nc2ccc(C(F)(F)F)cc2)n1
|
C19H15F3N6 384.365000 |
YPLAHTOPRYAYHA-UHFFFAOYSA-N | P35226 | Polycomb complex protein BMI-1 |
BindingDB, PubChem
BindingDB:BDBM50615315; PubChem:CID118095426
|
Local ready
Direct docking supported
|
|
E3L063231
BDB063231
|
BDBM50615316
Cc1nc2ccccc2n1-c1nncc(Nc2ccc(OC(F)F)cc2)n1
|
C18H14F2N6O 368.347000 |
SKKWOYNVIRULBN-UHFFFAOYSA-N | P35226 | Polycomb complex protein BMI-1 |
BindingDB, PubChem
BindingDB:BDBM50615316; PubChem:CID118102002
|
Local ready
Direct docking supported
|
|
E3L063232
BDB063232
|
BDBM50615317
CCc1nc2ccccc2n1-c1nncc(Nc2ccc(OC(F)F)cc2)n1
|
C19H16F2N6O 382.374000 |
YFDKFZKYXFTQFJ-UHFFFAOYSA-N | P35226 | Polycomb complex protein BMI-1 |
BindingDB, PubChem
BindingDB:BDBM50615317; PubChem:CID118095473
|
Local ready
Direct docking supported
|
|
E3L063233
BDB063233
|
BDBM50615318
FC(F)(F)c1ccc(Nc2cnnc(-n3c(C4CC4)nc4ccccc43)n2)cc1
|
C20H15F3N6 396.376000 |
KXMCKHGECAZHMF-UHFFFAOYSA-N | P35226 | Polycomb complex protein BMI-1 |
BindingDB, PubChem
BindingDB:BDBM50615318; PubChem:CID118102004
|
Local ready
Direct docking supported
|
|
E3L063234
BDB063234
|
BDBM50615319
FC(F)Oc1ccc(Nc2cnnc(-n3c(C4CC4)nc4ccccc43)n2)cc1
|
C20H16F2N6O 394.385000 |
MMNWOBYRUDVANF-UHFFFAOYSA-N | P35226 | Polycomb complex protein BMI-1 |
BindingDB, PubChem
BindingDB:BDBM50615319; PubChem:CID118095440
|
Local ready
Direct docking supported
|
|
E3L063235
BDB063235
|
BDBM50615320
CCc1nc2ccc(F)cc2n1-c1nncc(Nc2ccc(C(F)(F)F)cc2)n1
|
C19H14F4N6 402.355000 |
WQVJCXMEFSRARU-UHFFFAOYSA-N | P35226 | Polycomb complex protein BMI-1 |
BindingDB, PubChem
BindingDB:BDBM50615320; PubChem:CID118095483
|
Local ready
Direct docking supported
|
|
E3L063236
BDB063236
|
BDBM50615321
Fc1ccc2nc(C3CC3)n(-c3nncc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1
|
C20H14F4N6 414.366000 |
DCVFALDUQVDKRP-UHFFFAOYSA-N | P35226 | Polycomb complex protein BMI-1 |
BindingDB, PubChem
BindingDB:BDBM50615321; PubChem:CID118095451
|
Local ready
Direct docking supported
|
|
E3L063237
BDB063237
|
BDBM50615322
COc1ccc(Nc2cnnc(-n3c(C4CC4)nc4ccccc43)n2)cc1
|
C20H18N6O 358.405000 |
NAULWBRGVXOQCR-UHFFFAOYSA-N | P35226 | Polycomb complex protein BMI-1 |
BindingDB, PubChem
BindingDB:BDBM50615322; PubChem:CID118095503
|
Local ready
Direct docking supported
|
|
E3L063238
BDB063238
|
BDBM50615323
CCc1nc2ccccc2n1-c1nncc(Nc2ccc(OC)cc2)n1
|
C19H18N6O 346.394000 |
GNPSWQKNWWFCPR-UHFFFAOYSA-N | P35226 | Polycomb complex protein BMI-1 |
BindingDB, PubChem
BindingDB:BDBM50615323; PubChem:CID118095561
|
Local ready
Direct docking supported
|
|
E3L063239
BDB063239
|
BDBM50615324
Cc1nc2ccccc2n1-c1cnnc(Nc2ccc(C(F)(F)F)cc2)n1
|
C18H13F3N6 370.338000 |
GJDAXQVRLYNWDH-UHFFFAOYSA-N | P35226 | Polycomb complex protein BMI-1 |
BindingDB, PubChem
BindingDB:BDBM50615324; PubChem:CID118095422
|
Local ready
Direct docking supported
|
|
E3L063240
BDB063240
|
BDBM50615325
CCc1nc2ccccc2n1-c1cnnc(Nc2ccc(C(F)(F)F)cc2)n1
|
C19H15F3N6 384.365000 |
ULNONBRDLWULPE-UHFFFAOYSA-N | P35226 | Polycomb complex protein BMI-1 |
BindingDB, PubChem
BindingDB:BDBM50615325; PubChem:CID118095486
|
Local ready
Direct docking supported
|