| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049421
BDB049421
|
BDBM50238603
COC(=O)c1ccncc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
|
C17H16N4O4S 372.406000 |
QXAZFVUQHLLBDX-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50238603; PubChem:CID137659928
|
Local ready
Direct docking supported
|
|
E3L049422
BDB049422
|
BDBM50238604
COc1ccc2[nH]c(SCC(=O)Nc3ccccc3)nc2c1
|
C16H15N3O2S 313.382000 |
OQPNFPCQMIHCJI-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50238604; PubChem:CID2265051
|
Local ready
Direct docking supported
|
|
E3L049423
BDB049423
|
BDBM50238605
CNC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
|
C18H18N4O3S 370.434000 |
OUFZTPOOGKCRJE-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50238605; PubChem:CID137638210
|
Local ready
Direct docking supported
|
|
E3L049424
BDB049424
|
Clk1-IN-1
C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(-c4ccc5ocnc5c4)cc3c21
|
C24H16FN5O 409.424000 |
BHKVSOQUPYXVRZ-AWEZNQCLSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50238867; PubChem:CID129318964
|
Local ready
Direct docking supported
|
|
E3L049425
BDB049425
|
BDBM50238989
COc1ccc2c(c1)C(=O)/C(=C/c1ccc(O)c(O)c1)O2
|
C16H12O5 284.267000 |
IOJLBZJSULGZLY-CHHVJCJISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50238989; PubChem:CID137643187
|
Local ready
Direct docking supported
|
|
E3L049426
BDB049426
|
BDBM50238990
CCOc1cc(/C=C2\Oc3ccc(OC)cc3C2=O)ccc1O
|
C18H16O5 312.321000 |
BYUZPFPHQROZAU-MFOYZWKCSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50238990; PubChem:CID137656387
|
Local ready
Direct docking supported
|
|
E3L049427
BDB049427
|
7,8-Dehydrorutaecarpine
O=c1c2ccccc2nc2c3[nH]c4ccccc4c3ccn12
|
C18H11N3O 285.306000 |
KLONOPPMRIDVGM-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50239039; PubChem:CID148756
|
Local ready
Direct docking supported
|
|
E3L049428
BDB049428
|
3,3'-Diindolylmethane
c1ccc2c(Cc3c[nH]c4ccccc34)c[nH]c2c1
|
C17H14N2 246.313000 |
VFTRKSBEFQDZKX-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50239186; PubChem:CID3071
|
Local ready
Direct docking supported
|
|
E3L049429
BDB049429
|
Decanoic Acid
CCCCCCCCCC(=O)O
|
C10H20O2 172.268000 |
GHVNFZFCNZKVNT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50239187; PubChem:CID2969
|
Local ready
Direct docking supported
|
|
E3L049430
BDB049430
|
BDBM50239229
c1ccc(-c2cccc3nc(-c4cncnc4)nc(NCc4ccccn4)c23)cc1
|
C24H18N6 390.450000 |
UVJHJIXYGIZLLF-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50239229; PubChem:CID51030636
|
Local ready
Direct docking supported
|
|
E3L049431
BDB049431
|
BDBM50239350
O=S(=O)(Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(Br)cc1OC(F)(F)F
|
C22H12BrCl2F3N2O4S 608.219000 |
TZHHLYZBEGRYMV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50239350; PubChem:CID137659090
|
Local ready
Direct docking supported
|
|
E3L049432
BDB049432
|
BDBM50239351
O=S(=O)(Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(Br)cc1Cl
|
C21H12BrCl3N2O3S 558.668000 |
ZZWDPPPPDLGPEB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50239351; PubChem:CID137645369
|
Local ready
Direct docking supported
|
|
E3L049433
BDB049433
|
BDBM50239352
O=S(=O)(Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(Br)cc1C(F)(F)F
|
C22H12BrCl2F3N2O3S 592.220000 |
FQZKAMYUBLRBHN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50239352; PubChem:CID137649652
|
Local ready
Direct docking supported
|
|
E3L049434
BDB049434
|
BDBM50239353
O=S(=O)(Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(Br)cc1F
|
C21H12BrCl2FN2O3S 542.213000 |
XSVJXSALBCTWJB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50239353; PubChem:CID137654758
|
Local ready
Direct docking supported
|
|
E3L049435
BDB049435
|
BDBM50239354
O=S(=O)(Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(Br)c(F)c1
|
C21H12BrCl2FN2O3S 542.213000 |
QCKRUHWOAPBQOZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50239354; PubChem:CID137638871
|
Local ready
Direct docking supported
|
|
E3L049436
BDB049436
|
BDBM50239355
O=S(=O)(Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(Br)cc1
|
C21H13BrCl2N2O3S 524.223000 |
DLFBKAGVVODZNU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50239355; PubChem:CID137634371
|
Local ready
Direct docking supported
|
|
E3L049437
BDB049437
|
BDBM50239356
O=S(=O)(Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc2ccccc2c1
|
C25H16Cl2N2O3S 495.387000 |
UFBPXZDICOZREE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50239356; PubChem:CID137659478
|
Local ready
Direct docking supported
|
|
E3L049438
BDB049438
|
BDBM50239357
O=S(=O)(Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccccc1Cl
|
C21H13Cl3N2O3S 479.772000 |
OECOHSGSPYMREU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50239357; PubChem:CID137638058
|
Local ready
Direct docking supported
|
|
E3L049439
BDB049439
|
BDBM50239358
Cc1cc(S(=O)(=O)Nc2cc(Cl)c(Oc3cnc4ccccc4c3)c(Cl)c2)ccc1Br
|
C22H15BrCl2N2O3S 538.250000 |
GBJDFEHJNKBPBF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50239358; PubChem:CID137640656
|
Local ready
Direct docking supported
|
|
E3L049440
BDB049440
|
BDBM50239359
O=S(=O)(Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(Br)c(C(F)(F)F)c1
|
C22H12BrCl2F3N2O3S 592.220000 |
NHGVDZSIBSQVRD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50239359; PubChem:CID137635023
|
Local ready
Direct docking supported
|