| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049541
BDB049541
|
BDBM50242653
NC(=O)c1cccc(NC(=O)/C=C\C(=O)N2CCC(c3ccc(F)cc3)CC2)c1
|
C22H22FN3O3 395.434000 |
HIDGSHNRMYFZHS-HJWRWDBZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50242653; PubChem:CID137640411
|
Local ready
Direct docking supported
|
|
E3L049542
BDB049542
|
BDBM50242654
NC(=O)c1cccc(NC(=O)/C=C\C(=O)N2CCC(Cc3ccccc3)CC2)c1
|
C23H25N3O3 391.471000 |
IYJYZOJIOGICFK-KTKRTIGZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50242654; PubChem:CID137656957
|
Local ready
Direct docking supported
|
|
E3L049543
BDB049543
|
BDBM50242658
NC(=O)c1cccc(NC(=O)/C=C\C(=O)N2CCCC(c3ccccc3)C2)c1
|
C22H23N3O3 377.444000 |
DUVLGZHVLHPLOD-QXMHVHEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50242658; PubChem:CID137646367
|
Local ready
Direct docking supported
|
|
E3L049544
BDB049544
|
BDBM50242660
NC(=O)c1cccc(NC(=O)/C=C\C(=O)N2CCN(c3ccccc3)CC2)c1
|
C21H22N4O3 378.432000 |
IJTBFOMRKCFLIG-KTKRTIGZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50242660; PubChem:CID137643877
|
Local ready
Direct docking supported
|
|
E3L049545
BDB049545
|
BDBM50242661
NC(=O)c1cccc(NC(=O)/C=C\C(=O)N2CCN(c3ccccc3F)CC2)c1
|
C21H21FN4O3 396.422000 |
DKPIHFWBNZVINS-HJWRWDBZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50242661; PubChem:CID137650831
|
Local ready
Direct docking supported
|
|
E3L049546
BDB049546
|
BDBM50242737
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1
|
C32H34Cl2N4O4S 641.621000 |
OYONTEXKYJZFHA-SSHUPFPWSA-N | O14965, O95835, P51617, Q13233, Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2, Interleukin-1 receptor-associated kinase 1, Aurora kinase A, Serine/threonine-protein kinase LATS1, Mitogen-activated protein kinase kinase kinase 1 |
BindingDB
BindingDB:BDBM50242737
|
Local ready
Direct docking supported
|
|
E3L049547
BDB049547
|
BDBM50242850
CC(=O)NC(C)c1nc(-c2ccc(OCCN3c4ccccc4Oc4ccccc43)cc2)no1
|
C26H24N4O4 456.502000 |
FBUFIVDJQRSOFP-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50242850; PubChem:CID137659583
|
Local ready
Direct docking supported
|
|
E3L049548
BDB049548
|
BDBM50242857
CC(=O)NC(C)c1nc(-c2ccc(OCCCOc3ccc(Oc4ccccc4)cc3)cc2)no1
|
C27H27N3O5 473.529000 |
MSMLUWJJPPCLMG-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50242857; PubChem:CID137655653
|
Local ready
Direct docking supported
|
|
E3L049549
BDB049549
|
BDBM50242858
CC(=O)NC(C)c1nc(-c2ccc(OCCc3ccc(OS(C)(=O)=O)cc3)cc2)no1
|
C21H23N3O6S 445.497000 |
AJOXZBPTWFVRTQ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50242858; PubChem:CID137654442
|
Local ready
Direct docking supported
|
|
E3L049550
BDB049550
|
BDBM50242859
CCOC(Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1)C(=O)O
|
C24H24O5 392.451000 |
FOOAUPXVHNXVBV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50242859; PubChem:CID137639177
|
Local ready
Direct docking supported
|
|
E3L049551
BDB049551
|
BDBM50242860
CC(=O)N[C@@H](C)c1nc(-c2ccc(OCCc3ccc(OS(C)(=O)=O)cc3)cc2)no1
|
C21H23N3O6S 445.497000 |
AJOXZBPTWFVRTQ-AWEZNQCLSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50242860; PubChem:CID137656641
|
Local ready
Direct docking supported
|
|
E3L049552
BDB049552
|
BDBM50242877
[C][C]([N]C([C])=O)c1nc(-c2ccc(O[C][C]=C(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)no1
|
C27H12Br2N3O3 586.219000 |
JETRADJJOUEKSO-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50242877
|
Local ready
Direct docking supported
|
|
E3L049553
BDB049553
|
Kdm4D-IN-1
Cc1nn2c(nc(O)c3cccnc32)c1C#N
|
C11H7N5O 225.211000 |
FIRSAIIBSBCBTF-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM50242878; PubChem:CID137174251
|
Local ready
Direct docking supported
|
|
E3L049554
BDB049554
|
At-9283
O=C(Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1)NC1CC1
|
C19H23N7O2 381.440000 |
LOLPPWBBNUVNQZ-UHFFFAOYSA-N | O14965, Q92630 | Aurora kinase A, Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50243388; PubChem:CID135398495
|
Local ready
Direct docking supported
|
|
E3L049555
BDB049555
|
BDBM50243761
COc1cc(C2=C(c3c[nH]c4ccccc34)CNC2=O)cc(OC)c1OC
|
C21H20N2O4 364.401000 |
YTFRDKYCZHOSMM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50243761; PubChem:CID24894117
|
Local ready
Direct docking supported
|
|
E3L049556
BDB049556
|
BDBM50243878
COc1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2)cc(OC)c1OC
|
C21H20N2O4 364.401000 |
FQCMIMYFHWLFTJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50243878; PubChem:CID24894995
|
Local ready
Direct docking supported
|
|
E3L049557
BDB049557
|
BDBM50243928
CCOCn1cc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)NC2)c2ccccc21
|
C24H26N2O5 422.481000 |
QEIHPMKEVRZNEO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50243928; PubChem:CID24894888
|
Local ready
Direct docking supported
|
|
E3L049558
BDB049558
|
BDBM50243929
COc1cc(C2=C(c3cn(COC(C)C)c4ccccc34)CNC2=O)cc(OC)c1OC
|
C25H28N2O5 436.508000 |
CPWSAJBBZKPYRF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50243929; PubChem:CID24894996
|
Local ready
Direct docking supported
|
|
E3L049559
BDB049559
|
BDBM50243930
COc1cc(C2=C(c3cn(COC(C)(C)C)c4ccccc34)CNC2=O)cc(OC)c1OC
|
C26H30N2O5 450.535000 |
ZFKGDYZACMFEDS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50243930; PubChem:CID24894992
|
Local ready
Direct docking supported
|
|
E3L049560
BDB049560
|
BDBM50243931
COc1cc(C2=C(c3cn(COc4ccccc4)c4ccccc34)CNC2=O)cc(OC)c1OC
|
C28H26N2O5 470.525000 |
GCWMGQFAGIVZCJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50243931; PubChem:CID24894997
|
Local ready
Direct docking supported
|