| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052501
BDB052501
|
BDBM50318607
Cc1cc(CN2CCN(c3c(Br)cnc4nc(-c5ccc(OCCO)cc5)[nH]c34)CC2)no1
|
C23H25BrN6O3 513.396000 |
ALEYRQPFVFNLMN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318607; PubChem:CID25153621
|
Local ready
Direct docking supported
|
|
E3L052502
BDB052502
|
BDBM50318608
Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5ccc(OCCO)cc5)[nH]c34)CC2)no1
|
C23H25ClN6O3 468.945000 |
JRZOYDCGHBZCQE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318608; PubChem:CID46868085
|
Local ready
Direct docking supported
|
|
E3L052503
BDB052503
|
BDBM50318609
Cc1cc(CN2CCN(c3c(Br)cnc4nc(N5CCNCC5)[nH]c34)CC2)no1
|
C19H25BrN8O 461.368000 |
QLZJLTYIWWYIKO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318609; PubChem:CID46889922
|
Local ready
Direct docking supported
|
|
E3L052504
BDB052504
|
BDBM50318610
Cc1cc(CN2CCN(c3c(Br)cnc4nc(N5CCN(Cn6cccn6)CC5)[nH]c34)CC2)no1
|
C23H29BrN10O 541.458000 |
FUBLBHYYAXSWJZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318610; PubChem:CID46889934
|
Local ready
Direct docking supported
|
|
E3L052505
BDB052505
|
BDBM50318611
Cc1cc(CN2CCN(c3c(Cl)cnc4nc(N5CCN(Cn6cccn6)CC5)[nH]c34)CC2)no1
|
C23H29ClN10O 497.007000 |
GROSWGMOLRNWTL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318611; PubChem:CID46889935
|
Local ready
Direct docking supported
|
|
E3L052506
BDB052506
|
6-hydroxy-1-methoxy-9H-xanthen-9-one
COc1cccc2oc3cc(O)ccc3c(=O)c12
|
C14H10O4 242.230000 |
UKPKWIBNYWUEMK-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50318639; PubChem:CID6260040
|
Local ready
Direct docking supported
|
|
E3L052507
BDB052507
|
PF-562271
CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O
|
C21H20F3N7O3S 507.498000 |
MZDKLVOWGIOKTN-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50318884; PubChem:CID11713159
|
Local ready
Direct docking supported
|
|
E3L052508
BDB052508
|
Candesartan Cilexetil
CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
|
C33H34N6O6 610.671000 |
GHOSNRCGJFBJIB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50318907; PubChem:CID2540
|
Local ready
Direct docking supported
|
|
E3L052509
BDB052509
|
BDBM50319262
Cc1ccc(NC(=O)CN(Cc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccco2)c(C)c1
|
C26H30N2O5 450.535000 |
OLAPRRPHWILKIM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50319262; PubChem:CID9803821
|
Local ready
Direct docking supported
|
|
E3L052510
BDB052510
|
BDBM50319263
Cc1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccc(OC(C)(C)C(=O)O)cc2)c(C)c1
|
C28H32N2O4 460.574000 |
CGRGAPDFXXSASA-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50319263; PubChem:CID46890332
|
Local ready
Direct docking supported
|
|
E3L052511
BDB052511
|
BDBM50319264
Cc1ccc(NC(=O)CN(Cc2ccc(OC(C)(C)C(=O)O)cc2)Cc2cccs2)c(C)c1
|
C26H30N2O4S 466.603000 |
ZIDZJLMNJDVTDJ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50319264; PubChem:CID46890333
|
Local ready
Direct docking supported
|
|
E3L052512
BDB052512
|
BDBM50319265
COc1ccc(CN(CC(=O)Nc2ccc(C)cc2C)Cc2ccc(OC(C)(C)C(=O)O)cc2)cc1
|
C29H34N2O5 490.600000 |
FKRNCCUIXAQJMV-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50319265; PubChem:CID46890417
|
Local ready
Direct docking supported
|
|
E3L052513
BDB052513
|
BDBM50319266
CCCN(CC(=O)Nc1ccc(C)cc1C)Cc1ccc(OC(C)(C)C(=O)O)cc1
|
C24H32N2O4 412.530000 |
BOKABWIDLFTABK-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50319266; PubChem:CID46890418
|
Local ready
Direct docking supported
|
|
E3L052514
BDB052514
|
BDBM50319267
CCCCN(CC(=O)Nc1ccc(C)cc1C)Cc1ccc(OC(C)(C)C(=O)O)cc1
|
C25H34N2O4 426.557000 |
OOYXWGZCUHJLKA-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50319267; PubChem:CID46890419
|
Local ready
Direct docking supported
|
|
E3L052515
BDB052515
|
BDBM50319268
CCCCCCCN(CC(=O)Nc1ccc(C)cc1C)Cc1ccc(OC(C)(C)C(=O)O)cc1
|
C28H40N2O4 468.638000 |
OVFOBBSNKZOIAS-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50319268; PubChem:CID46890420
|
Local ready
Direct docking supported
|
|
E3L052516
BDB052516
|
BDBM50319269
Cc1ccccc1NC(=O)CN(Cc1ccc(OC(C)(C)C(=O)O)cc1)Cc1ccco1
|
C25H28N2O5 436.508000 |
RPMYURNWOCQEEM-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50319269; PubChem:CID46890461
|
Local ready
Direct docking supported
|
|
E3L052517
BDB052517
|
BDBM50319270
Cc1ccc(C)c(NC(=O)CN(Cc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccco2)c1
|
C26H30N2O5 450.535000 |
QJIMRALLLQKEOI-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50319270; PubChem:CID22708221
|
Local ready
Direct docking supported
|
|
E3L052518
BDB052518
|
BDBM50319271
COc1ccc(OC)c(NC(=O)CN(Cc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccco2)c1
|
C26H30N2O7 482.533000 |
OTIGFJAQRHBZDW-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50319271; PubChem:CID46890462
|
Local ready
Direct docking supported
|
|
E3L052519
BDB052519
|
BDBM50319272
COc1cccc(NC(=O)CN(Cc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccco2)c1
|
C25H28N2O6 452.507000 |
XUNXKANGTHYZHU-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50319272; PubChem:CID46890463
|
Local ready
Direct docking supported
|
|
E3L052520
BDB052520
|
BDBM50319273
CC(C)(Oc1ccc(CN(CC(=O)Nc2ccc(F)cc2F)Cc2ccco2)cc1)C(=O)O
|
C24H24F2N2O5 458.461000 |
GIMRQISDOWWZIZ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50319273; PubChem:CID46890509
|
Local ready
Direct docking supported
|