| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L059701
BDB059701
|
BDBM50533815
COc1ccc2c(c1)C(=Cc1ccc3c(-c4ccc(N5CCN(C)CC5)nc4)n[nH]c3c1)C(=O)N2
|
C27H26N6O2 466.545000 |
TVRYEYSLCUPRPL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50533815
|
Local ready
Direct docking supported
|
|
E3L059702
BDB059702
|
BDBM50534028
CC(=O)N[C@@H](C)c1nc(-c2ccc(Oc3ccc(OCc4ccccc4)cc3)cc2)no1
|
C25H23N3O4 429.476000 |
VQKAKICSSLMPRX-KRWDZBQOSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50534028; PubChem:CID132578490
|
Local ready
Direct docking supported
|
|
E3L059703
BDB059703
|
BDBM50534029
CCC(NC(C)=O)c1nc(-c2ccc(Oc3ccc(OCc4ccccc4)cc3)cc2)no1
|
C26H25N3O4 443.503000 |
HFWBLWDUUNIPGR-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50534029; PubChem:CID155537424
|
Local ready
Direct docking supported
|
|
E3L059704
BDB059704
|
BDBM50534030
CC(=O)NC(C)c1nc(-c2ccc(Oc3ccc(OCc4ccccc4)cc3)cc2)no1
|
C25H23N3O4 429.476000 |
VQKAKICSSLMPRX-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50534030; PubChem:CID155545016
|
Local ready
Direct docking supported
|
|
E3L059705
BDB059705
|
BDBM50534031
COC(=O)NC(C)c1nc(-c2ccc(Oc3ccc(OCc4ccccc4)cc3)cc2)no1
|
C25H23N3O5 445.475000 |
QCBWTFXMFGLBNW-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50534031; PubChem:CID155524299
|
Local ready
Direct docking supported
|
|
E3L059706
BDB059706
|
BDBM50534032
CC(NC(=O)C(F)(F)F)c1nc(-c2ccc(Oc3ccc(OCc4ccccc4)cc3)cc2)no1
|
C25H20F3N3O4 483.446000 |
CHULCTKIKFMDOO-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50534032; PubChem:CID155517472
|
Local ready
Direct docking supported
|
|
E3L059707
BDB059707
|
BDBM50534403
C[C@]1(c2nc3c(C(N)=O)c(F)ccc3[nH]2)CCCN1
|
C13H15FN4O 262.288000 |
WJCXQDYXPZJOBE-CYBMUJFWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50534403; PubChem:CID155519722
|
Local ready
Direct docking supported
|
|
E3L059708
BDB059708
|
BDBM50534404
NC(=O)c1c(F)ccc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc12
|
C18H17FN4O2 340.358000 |
ZUOVCOIKLNEFGZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50534404; PubChem:CID155519958
|
Local ready
Direct docking supported
|
|
E3L059709
BDB059709
|
BDBM50534405
CCCN1CCC(c2nc3c(C(N)=O)c(F)ccc3[nH]2)CC1
|
C16H21FN4O 304.369000 |
CRTMDBOMSUUNQZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50534405; PubChem:CID141341808
|
Local ready
Direct docking supported
|
|
E3L059710
BDB059710
|
BDBM50534406
NC(=O)c1c(F)ccc2[nH]c(-c3ccc(N4CCNCC4)cc3)nc12
|
C18H18FN5O 339.374000 |
XTXRAJUSWNSALF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50534406; PubChem:CID155568824
|
Local ready
Direct docking supported
|
|
E3L059711
BDB059711
|
BDBM50534407
CN1CCC[C@@]1(C)c1nc2c(C(N)=O)c(F)ccc2[nH]1
|
C14H17FN4O 276.315000 |
AORRXLCITJJPQQ-AWEZNQCLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50534407; PubChem:CID155535594
|
Local ready
Direct docking supported
|
|
E3L059712
BDB059712
|
BDBM50534408
NC(=O)c1c(F)ccc2[nH]c(C3CCNCC3)nc12
|
C13H15FN4O 262.288000 |
BHKPJWGYGCENGT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50534408; PubChem:CID141341800
|
Local ready
Direct docking supported
|
|
E3L059713
BDB059713
|
BDBM50534409
NC(=O)c1c(F)ccc2[nH]c(C3CCCNC3)nc12
|
C13H15FN4O 262.288000 |
FVMQDUSAGYKSDQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50534409; PubChem:CID141341806
|
Local ready
Direct docking supported
|
|
E3L059714
BDB059714
|
1,3-Diethyl-4-hydroxy-1,7-naphthyridin-2-one
CCc1c(O)c2ccncc2n(CC)c1=O
|
C12H14N2O2 218.256000 |
GUUKRRCOCPNRSR-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50534522; PubChem:CID155513277
|
Local ready
Direct docking supported
|
|
E3L059715
BDB059715
|
4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
N#Cc1c(O)c2ccncc2[nH]c1=O
|
C9H5N3O2 187.158000 |
NPAMRWDIMURYSE-UHFFFAOYSA-N | P29375, P41229, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B, Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50534523; PubChem:CID138518187
|
Local ready
Direct docking supported
|
|
E3L059716
BDB059716
|
BDBM50534524
O=C(c1c(O)c2ccncc2[nH]c1=O)N1CCCC1
|
C13H13N3O3 259.265000 |
HKQNYTMYRZYJQJ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50534524; PubChem:CID155543083
|
Local ready
Direct docking supported
|
|
E3L059717
BDB059717
|
2-(Trifluoromethyl)-pyrido[3,4-d]pyrimidin-4(3H)-one
O=c1[nH]c(C(F)(F)F)nc2cnccc12
|
C8H4F3N3O 215.134000 |
XRSGBIHEPAYDKE-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50534525; PubChem:CID136165229
|
Local ready
Direct docking supported
|
|
E3L059718
BDB059718
|
BDBM50534526
CN(C)C(=O)c1c(O)c2ccncc2[nH]c1=O
|
C11H11N3O3 233.227000 |
KEASMJFUOKUMEO-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50534526; PubChem:CID155531373
|
Local ready
Direct docking supported
|
|
E3L059719
BDB059719
|
BDBM50534527
O=C(NCc1ccccc1)c1c(O)c2ccncc2[nH]c1=O
|
C16H13N3O3 295.298000 |
NOKWCFNETMMJCB-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50534527; PubChem:CID155560285
|
Local ready
Direct docking supported
|
|
E3L059720
BDB059720
|
BDBM50534528
CC(C)NC(=O)c1c(O)c2ccncc2[nH]c1=O
|
C12H13N3O3 247.254000 |
HFJTWTAUIITCDF-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50534528; PubChem:CID155542131
|
Local ready
Direct docking supported
|