| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L061161
BDB061161
|
BDBM50574987
Cc1cc(/C=C2\Oc3cc(OCC(C)C)ccc3C2=O)cc(C)c1OCC(=O)O
|
C23H24O6 396.439000 |
DMYMKTPYFGFERF-UKWGHVSLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50574987; PubChem:CID147391493
|
Local ready
Direct docking supported
|
|
E3L061162
BDB061162
|
BDBM50574988
Cc1cc(/C=C2\Oc3cc(OCC4CC4)ccc3C2=O)cc(C)c1OCC(=O)O
|
C23H22O6 394.423000 |
YINSSTHMVMHBLE-UKWGHVSLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50574988; PubChem:CID149364325
|
Local ready
Direct docking supported
|
|
E3L061163
BDB061163
|
BDBM50575255
Fc1ccc2c(c1CNc1ncc(Oc3ccccc3)c3nncn13)CCO2
|
C20H16FN5O2 377.379000 |
DUYUABISMIVAQO-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50575255; PubChem:CID164610998
|
Local ready
Direct docking supported
|
|
E3L061164
BDB061164
|
BDBM50575256
Fc1ccc2c(c1CNc1ncc(Nc3ccccc3)c3nncn13)CCO2
|
C20H17FN6O 376.395000 |
JHPJKOPMYFTYCO-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50575256; PubChem:CID156340532
|
Local ready
Direct docking supported
|
|
E3L061165
BDB061165
|
BDBM50575257
O=C(Nc1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12)c1ccccc1
|
C21H17FN6O2 404.405000 |
HNOVSELXQVAOAN-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50575257; PubChem:CID156340524
|
Local ready
Direct docking supported
|
|
E3L061166
BDB061166
|
BDBM50575258
O=C(Nc1ccccc1)c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C21H17FN6O2 404.405000 |
ZBIGPENTNOAEDO-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50575258; PubChem:CID164621964
|
Local ready
Direct docking supported
|
|
E3L061167
BDB061167
|
BDBM50575259
CN(C(=O)c1ccccc1)c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C22H19FN6O2 418.432000 |
TZXZRXSUIUHQMF-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50575259; PubChem:CID164628264
|
Local ready
Direct docking supported
|
|
E3L061168
BDB061168
|
BDBM50575260
COc1ccccc1C(=O)Nc1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C22H19FN6O3 434.431000 |
LBIUFHZODARWDR-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50575260; PubChem:CID164614634
|
Local ready
Direct docking supported
|
|
E3L061169
BDB061169
|
BDBM50575261
CN(C)Cc1ccc(C(=O)Nc2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)cc1
|
C24H24FN7O2 461.501000 |
UEYMPFIJSRVLDX-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50575261; PubChem:CID164609951
|
Local ready
Direct docking supported
|
|
E3L061170
BDB061170
|
BDBM50575262
O=C(Nc1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12)c1cccnc1
|
C20H16FN7O2 405.393000 |
JEBMRMANCAOUHT-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50575262; PubChem:CID156340526
|
Local ready
Direct docking supported
|
|
E3L061171
BDB061171
|
BDBM50575263
O=C1c2ccccc2CN1c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C22H17FN6O2 416.416000 |
NUVDJYOJHFZQGS-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50575263; PubChem:CID164609432
|
Local ready
Direct docking supported
|
|
E3L061172
BDB061172
|
BDBM50575264
O=C1Cc2ccccc2CN1c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C23H19FN6O2 430.443000 |
WONQZYHIDSNJNM-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50575264; PubChem:CID164608943
|
Local ready
Direct docking supported
|
|
E3L061173
BDB061173
|
BDBM50575265
O=C1Oc2ccccc2CN1c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C22H17FN6O3 432.415000 |
KOYHUMIKYZIGGL-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50575265; PubChem:CID164609005
|
Local ready
Direct docking supported
|
|
E3L061174
BDB061174
|
BDBM50575266
O=C1c2cnccc2CN1c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C21H16FN7O2 417.404000 |
GBNYKTSHWVBTQJ-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50575266; PubChem:CID164618502
|
Local ready
Direct docking supported
|
|
E3L061175
BDB061175
|
BDBM50575267
CN(C)Cc1ccc2c(c1)CN(c1cnc(NCc3c(F)ccc4c3CCO4)n3cnnc13)C2=O
|
C25H24FN7O2 473.512000 |
YMGCJXGENIZCHK-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50575267; PubChem:CID164622883
|
Local ready
Direct docking supported
|
|
E3L061176
BDB061176
|
BDBM50575268
O=C1c2ccc(OCCN3CCCC3)cc2CN1c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C28H28FN7O3 529.576000 |
PNKWXDGDZUKQSS-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50575268; PubChem:CID164626128
|
Local ready
Direct docking supported
|
|
E3L061177
BDB061177
|
BDBM50575269
COCCC(=O)Nc1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C18H19FN6O3 386.387000 |
YISNAISNLQBDTP-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50575269; PubChem:CID156340639
|
Local ready
Direct docking supported
|
|
E3L061178
BDB061178
|
BDBM50575270
O=C1CCCN1c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C18H17FN6O2 368.372000 |
OLCKHOLQJKSLQS-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50575270; PubChem:CID156340534
|
Local ready
Direct docking supported
|
|
E3L061179
BDB061179
|
BDBM50575271
C[C@@H]1CC(=O)N(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)C1
|
C19H19FN6O2 382.399000 |
SYVUXQLYNUSVAB-LLVKDONJSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50575271; PubChem:CID164628634
|
Local ready
Direct docking supported
|
|
E3L061180
BDB061180
|
BDBM50575272
C[C@H]1CC(=O)N(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)C1
|
C19H19FN6O2 382.399000 |
SYVUXQLYNUSVAB-NSHDSACASA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50575272; PubChem:CID164616532
|
Local ready
Direct docking supported
|