| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L059461
BDB059461
|
BDBM50529128
COc1cc2cc3[n+](cc2cc1OC)C(C(=O)O)Cc1cc2c(cc1-3)OCO2
|
C21H18NO6+ 380.376000 |
HTNMPKIFSAWPDL-UHFFFAOYSA-O | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50529128; PubChem:CID155565441
|
Local ready
Direct docking supported
|
|
E3L059462
BDB059462
|
BDBM50529129
COc1cc2c(cc1OC)CN1C(C(=O)O)Cc3cc4c(cc3C1C2)OCO4
|
C21H21NO6 383.400000 |
VIZBTLYHJHIQTH-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50529129; PubChem:CID155533758
|
Local ready
Direct docking supported
|
|
E3L059463
BDB059463
|
BDBM50529392
CCc1nc(N)nc2c1c(-c1ccc3oc(N)nc3c1)nn2C(C)C
|
C17H19N7O 337.387000 |
WCTBFLLLNSMNGQ-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50529392; PubChem:CID155528904
|
Local ready
Direct docking supported
|
|
E3L059464
BDB059464
|
BDBM50529393
CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2cnc(N)nc21
|
C15H15N7O 309.333000 |
AWOSFEUBLOFLFP-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50529393; PubChem:CID142608579
|
Local ready
Direct docking supported
|
|
E3L059465
BDB059465
|
BDBM50529394
Cc1nc(N)nc2c1c(-c1ccc3oc(N)nc3c1)nn2C(C)C
|
C16H17N7O 323.360000 |
LGAJJTHJWVAHRF-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50529394; PubChem:CID139207772
|
Local ready
Direct docking supported
|
|
E3L059466
BDB059466
|
BDBM50529395
CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc21
|
C15H16N8O 324.348000 |
HGZOUPKZPOAOOQ-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50529395; PubChem:CID139207774
|
Local ready
Direct docking supported
|
|
E3L059467
BDB059467
|
BDBM50529396
CCCCn1nc(-c2ccc3oc(N)nc3c2)c2c(C)nc(N)nc21
|
C17H19N7O 337.387000 |
JWOWVKFLHKSOPE-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50529396; PubChem:CID155549094
|
Local ready
Direct docking supported
|
|
E3L059468
BDB059468
|
BDBM50529398
CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(Cl)nc(N)nc21
|
C15H14ClN7O 343.778000 |
YDFGZXSSYDSJRM-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50529398; PubChem:CID139207773
|
Local ready
Direct docking supported
|
|
E3L059469
BDB059469
|
BDBM50529399
CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(F)nc(N)nc21
|
C15H14FN7O 327.323000 |
XYFXUNWLLFSAGS-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50529399; PubChem:CID155548973
|
Local ready
Direct docking supported
|
|
E3L059470
BDB059470
|
BDBM50529401
CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(=O)[nH]cnc21
|
C15H14N6O2 310.317000 |
WXUZDBRGJSWGID-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50529401; PubChem:CID155562151
|
Local ready
Direct docking supported
|
|
E3L059471
BDB059471
|
BDBM50529402
Cc1nc2c(c(-c3ccc4oc(N)nc4c3)nn2C(C)C)c(=O)[nH]1
|
C16H16N6O2 324.344000 |
VYGVLHBRKJFFMR-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50529402; PubChem:CID155541005
|
Local ready
Direct docking supported
|
|
E3L059472
BDB059472
|
BDBM50529403
CNc1nc2c(c(-c3ccc4oc(N)nc4c3)nn2C(C)C)c(=O)[nH]1
|
C16H17N7O2 339.359000 |
BSEBEVLEWXFPEJ-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50529403; PubChem:CID155525139
|
Local ready
Direct docking supported
|
|
E3L059473
BDB059473
|
BDBM50529404
CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(=O)[nH]c(N)nc21
|
C15H15N7O2 325.332000 |
SWHLSVQEFGEDKB-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50529404; PubChem:CID155515384
|
Local ready
Direct docking supported
|
|
E3L059474
BDB059474
|
BDBM50529405
CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(Br)nc(N)nc21
|
C15H14BrN7O 388.229000 |
BJEPBULKEVIYBP-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50529405; PubChem:CID155567232
|
Local ready
Direct docking supported
|
|
E3L059475
BDB059475
|
BDBM50529406
COc1nc(N)nc2c1c(-c1ccc3oc(N)nc3c1)nn2C(C)C
|
C16H17N7O2 339.359000 |
UAOGXXRABSNPRZ-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50529406; PubChem:CID155543139
|
Local ready
Direct docking supported
|
|
E3L059476
BDB059476
|
BDBM50529407
CCCCn1nc(-c2ccc3oc(N)nc3c2)c2c(Cl)nc(N)nc21
|
C16H16ClN7O 357.805000 |
RGOBXIPHRILFRR-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50529407; PubChem:CID155563416
|
Local ready
Direct docking supported
|
|
E3L059477
BDB059477
|
(-)-Caryophyllene
C=C1CC/C=C(\C)CC[C@@H]2[C@@H]1CC2(C)C
|
C15H24 204.357000 |
NPNUFJAVOOONJE-GFUGXAQUSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50529607; PubChem:CID5281515
|
Local ready
Direct docking supported
|
|
E3L059478
BDB059478
|
BDBM50529888
CN(C)c1ccc(C(=O)N2CCc3cc(C(=O)NCC(O)CN4CCc5ccccc5C4)ccc3C2)cc1
|
C31H36N4O3 512.654000 |
MQBNHAAEDHNZCH-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB
BindingDB:BDBM50529888
|
Local ready
Direct docking supported
|
|
E3L059479
BDB059479
|
BDBM50529889
O=C(NCC(O)CN1CCc2ccccc2C1)c1cc2c(s1)CCN(C(=O)c1ccccc1F)C2
|
C27H28FN3O3S 493.604000 |
BEVCVHALRZQTTA-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50529889; PubChem:CID155520300
|
Local ready
Direct docking supported
|
|
E3L059480
BDB059480
|
BDBM50529890
O=C(NCC(O)CN1CCc2ccccc2C1)c1cc2c(s1)CCN(C(=O)c1ccc(Br)cc1)C2
|
C27H28BrN3O3S 554.510000 |
ZIDCEAFVRIDUJO-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50529890; PubChem:CID155534884
|
Local ready
Direct docking supported
|