| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049861
BDB049861
|
BDBM50249372
O=C1NC(=O)/C(=C/c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)S1
|
C20H13F3N2O2S 402.397000 |
NIOMYXUIQUUSCN-MFOYZWKCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50249372; PubChem:CID18973540
|
Local ready
Direct docking supported
|
|
E3L049862
BDB049862
|
BDBM50249400
O=C1NC(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)S1
|
C19H13ClN2O2S 368.845000 |
QFMVAAOQCSFDDI-MFOYZWKCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50249400; PubChem:CID18973566
|
Local ready
Direct docking supported
|
|
E3L049863
BDB049863
|
BDBM50249420
Cc1cc(Nc2nn(CC(=O)c3ccccc3)c(=O)c3ccccc23)[nH]n1
|
C20H17N5O2 359.389000 |
ZYWAUCIAPLYMIZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50249420; PubChem:CID21106492
|
Local ready
Direct docking supported
|
|
E3L049864
BDB049864
|
BDBM50249453
Cc1cc(Nc2nn(Cc3cc(F)ccc3F)c(=O)c3ccccc23)[nH]n1
|
C19H15F2N5O 367.359000 |
SVTBFGDAWVMFBQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50249453; PubChem:CID11667761
|
Local ready
Direct docking supported
|
|
E3L049865
BDB049865
|
BDBM50249797
CCc1cc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc2n(CC)c1=O
|
C20H19N3O3S 381.457000 |
QTIVTZLLONAWRR-UHFFFAOYSA-N | Q12830, Q92793, Q92831 | Histone acetyltransferase KAT2B, CREB-binding protein, Nucleosome-remodeling factor subunit BPTF |
BindingDB, PubChem
BindingDB:BDBM50249797; PubChem:CID137636309
|
Local ready
Direct docking supported
|
|
E3L049866
BDB049866
|
BDBM50249882
CCC(=O)NC[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)N=C(C)CC(=O)c1ccc(C(F)(F)F)cc1
|
C35H36F3N3O4 619.684000 |
GWOGKYGQZKGRED-LJAQVGFWSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50249882; PubChem:CID91935764
|
Local ready
Direct docking supported
|
|
E3L049867
BDB049867
|
BDBM50249883
CCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)O
|
C17H20ClN3O2S 365.886000 |
AOKLHUSYOXAEGU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50249883; PubChem:CID11978567
|
Local ready
Direct docking supported
|
|
E3L049868
BDB049868
|
BDBM50250180
CC(C)(C)c1cc(NC(=O)Nc2ccc(-n3nc(-c4ccc(OCCN5CCOCC5)cc4)c4c(N)ncnc43)cc2)no1
|
C31H35N9O4 597.680000 |
SKDBXDGKLQALIZ-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50250180; PubChem:CID132204257
|
Local ready
Direct docking supported
|
|
E3L049869
BDB049869
|
BDBM50250875
N#Cc1ccc2c(c1)[nH]c(=O)n2[C@H]1C[C@H](c2nnc(-c3ccncn3)n2-c2ccccc2Cl)C1
|
C24H17ClN8O 468.908000 |
MYNRZMIPPXBMLY-WKILWMFISA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50250875
|
Local ready
Direct docking supported
|
|
E3L049870
BDB049870
|
BDBM50250880
C[C@@H]1CC(=O)Nc2cccc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)c2N1
|
C24H25F2N5O 437.494000 |
PEWSNHABWAWIAB-CQSZACIVSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50250880
|
Local ready
Direct docking supported
|
|
E3L049871
BDB049871
|
Methyl indole-3-carboxylate
COC(=O)c1c[nH]c2ccccc12
|
C10H9NO2 175.187000 |
QXAUTQFAWKKNLM-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50250885; PubChem:CID589098
|
Local ready
Direct docking supported
|
|
E3L049872
BDB049872
|
3-methyl-6-amino-2(3H)-benzothiazolone
Cn1c(=O)sc2cc(N)ccc21
|
C8H8N2OS 180.232000 |
STDGBEKVJJKVNB-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50250886; PubChem:CID10442296
|
Local ready
Direct docking supported
|
|
E3L049873
BDB049873
|
BDBM50250887
CC(=O)N1CCc2c(cc(-c3cccc(Cl)c3)c(=O)n2CC2CC2)C1
|
C20H21ClN2O2 356.853000 |
QPIADADOJOQULY-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50250887; PubChem:CID137650957
|
Local ready
Direct docking supported
|
|
E3L049874
BDB049874
|
BDBM50250888
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C)s1
|
C15H16N2O3S2 336.438000 |
YBHQPPQDYKIRSM-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50250888; PubChem:CID40889550
|
Local ready
Direct docking supported
|
|
E3L049875
BDB049875
|
BDBM50250889
CNC(=O)c1cnn2ccc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nc12
|
C22H21F2N7O 437.454000 |
BFPNQLBXFZUNIJ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50250889; PubChem:CID137632559
|
Local ready
Direct docking supported
|
|
E3L049876
BDB049876
|
BDBM50250890
CC(=O)N1CCCc2cc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)ccc21
|
C25H26F2N4O 436.506000 |
UHDIXFRAXAVSTN-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50250890
|
Local ready
Direct docking supported
|
|
E3L049877
BDB049877
|
BDBM50250891
C[C@H]1Nc2c(cccc2N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)NC1=O
|
C23H23F2N5O 423.467000 |
LDZHSQZMAXZDJN-CYBMUJFWSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50250891
|
Local ready
Direct docking supported
|
|
E3L049878
BDB049878
|
BDBM50250892
CNC(=O)c1c[nH]c2c(C(C)C)nc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)cc12
|
C26H28F2N6O 478.547000 |
IQJHFWBVPBSSGR-UHFFFAOYSA-N | O15164, Q09472, Q92793 | Transcription intermediary factor 1-alpha, CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50250892; PubChem:CID137635443
|
Local ready
Direct docking supported
|
|
E3L049879
BDB049879
|
BDBM50250893
CNC(=O)c1cnn2c(C3CCCN3)ccnc12
|
C12H15N5O 245.286000 |
RHVPSFNVEKNILE-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50250893; PubChem:CID118740117
|
Local ready
Direct docking supported
|
|
E3L049880
BDB049880
|
BDBM50250894
CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(F)cc3C)ccc21
|
C19H21FN2O3S 376.453000 |
ZODAPYZWYREKGK-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50250894; PubChem:CID27604952
|
Local ready
Direct docking supported
|