| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062521
BDB062521
|
BDBM50602874
CNc1ccn2c(C(C)=O)cc(C(=O)Nc3cc(CO)cc(-c4cnn(C)c4)c3F)c2c1
|
C23H22FN5O3 435.459000 |
GNVGZNTWMDXJQD-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50602874; PubChem:CID154631632
|
Local ready
Direct docking supported
|
|
E3L062522
BDB062522
|
BDBM50602875
CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(CN)ccn12
|
C23H22FN5O3 435.459000 |
YFVVMPCITILTOG-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50602875; PubChem:CID154631644
|
Local ready
Direct docking supported
|
|
E3L062523
BDB062523
|
BDBM50602876
CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OC(=O)C(C)(C)C)ccn12
|
C27H27FN4O5 506.534000 |
YNAJEZGNJGDKTA-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50602876; PubChem:CID168290784
|
Local ready
Direct docking supported
|
|
E3L062524
BDB062524
|
BDBM50602877
CCC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(O)ccn12
|
C23H21FN4O4 436.443000 |
DNFUESBCRZTRFK-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50602877
|
Local ready
Direct docking supported
|
|
E3L062525
BDB062525
|
BDBM50602878
CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C4CC4)c3)c2F)c2cc(N)ccn12
|
C24H22FN5O3 447.470000 |
KGZLXONVRPZAOA-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50602878; PubChem:CID156784245
|
Local ready
Direct docking supported
|
|
E3L062526
BDB062526
|
BDBM50602879
CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C4CC4)c3)c2F)c2cc(O)ccn12
|
C24H21FN4O4 448.454000 |
WLFAFUDHDLESQO-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50602879
|
Local ready
Direct docking supported
|
|
E3L062527
BDB062527
|
BDBM50602880
CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C4CC4)c3)c2F)c2cc(OC(=O)N(C)C)ccn12
|
C27H26FN5O5 519.533000 |
UMURGYUDULFAPH-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50602880; PubChem:CID162624721
|
Local ready
Direct docking supported
|
|
E3L062528
BDB062528
|
BDBM50602881
CC(=O)c1cc(C(=O)Nc2cc(C(C)O)cc(-c3cnn(C4CC4)c3)c2F)c2cc(N)ccn12
|
C25H24FN5O3 461.497000 |
BDKRMQHCPCDYHE-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50602881; PubChem:CID168297539
|
Local ready
Direct docking supported
|
|
E3L062529
BDB062529
|
BDBM50602882
CC(=O)c1cc(C(=O)Nc2cc(C(C)O)cc(-c3cnn(C4CC4)c3)c2F)c2cc(O)ccn12
|
C25H23FN4O4 462.481000 |
NVMXMVXGGBDUDQ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50602882
|
Local ready
Direct docking supported
|
|
E3L062530
BDB062530
|
BDBM50602883
CC(=O)c1cc(C(=O)Nc2cc(C(C)O)cc(-c3cnn(C4CC4)c3)c2F)c2cc(OC(=O)N(C)C)ccn12
|
C28H28FN5O5 533.560000 |
QWDFQURJNVFZTL-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50602883; PubChem:CID168296335
|
Local ready
Direct docking supported
|
|
E3L062531
BDB062531
|
BDBM50602884
COc1ccn2c(C(C)=O)cc(C(=O)Nc3cc(C(C)O)cc(-c4cnn(C5CC5)c4)c3F)c2c1
|
C26H25FN4O4 476.508000 |
KKCORLIQMAQULG-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50602884; PubChem:CID163196288
|
Local ready
Direct docking supported
|
|
E3L062532
BDB062532
|
N-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
COc1ccc(Nc2ncnc3[nH]ccc23)cc1
|
C13H12N4O 240.266000 |
DJHHJFCJDPLIQB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50602900; PubChem:CID110875107
|
Local ready
Direct docking supported
|
|
E3L062533
BDB062533
|
BDBM50602926
c1ccc(COc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1
|
C19H16N4O 316.364000 |
GSVSRJBZRJBGOQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50602926; PubChem:CID139832427
|
Local ready
Direct docking supported
|
|
E3L062534
BDB062534
|
Tnik-IN-3
O=C1c2ccc(-c3cnc4[nH]ccc4c3)cc2OCCN1Cc1ccc(F)cc1
|
C23H18FN3O2 387.414000 |
UVLOISNMRLZTPF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50602947; PubChem:CID162641720
|
Local ready
Direct docking supported
|
|
E3L062535
BDB062535
|
BDBM50603097
CC(=O)N1c2ccc(C(N)=O)cc2[C@H](Nc2ncc(Cl)cn2)C[C@@H]1C
|
C17H18ClN5O2 359.817000 |
KNBYFXZNSOENGW-LKFCYVNXSA-N | Q09472, Q92793 | CREB-binding protein, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50603097; PubChem:CID118948181
|
Local ready
Direct docking supported
|
|
E3L062536
BDB062536
|
BDBM50603132
O=C(O)c1ccc2c(c1)Oc1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc1C1(CC1)C2
|
C29H22Cl2N2O5 549.410000 |
JZJOXLSYULKNLW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50603132; PubChem:CID138675487
|
Local ready
Direct docking supported
|
|
E3L062537
BDB062537
|
2-Acetoxy-6-pentadecylbenzoic acid
CCCCCCCCCCCCCCCc1cccc(OC(C)=O)c1C(=O)O
|
C24H38O4 390.564000 |
ZKWZWUUWZMUNAN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50603417; PubChem:CID24965888
|
Local ready
Direct docking supported
|
|
E3L062538
BDB062538
|
2-Hydroxy-4-pentadecylbenzoic acid
CCCCCCCCCCCCCCCc1ccc(C(=O)O)c(O)c1
|
C22H36O3 348.527000 |
ZCPCQTFJJJQCGQ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50603418; PubChem:CID3793147
|
Local ready
Direct docking supported
|
|
E3L062539
BDB062539
|
2-Methoxy-4-pentadecylbenzoic acid
CCCCCCCCCCCCCCCc1ccc(C(=O)O)c(OC)c1
|
C23H38O3 362.554000 |
HDGBHYXZLPCUJI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50603419; PubChem:CID85975060
|
Local ready
Direct docking supported
|
|
E3L062540
BDB062540
|
Ethyl (3-pentadecylphenoxy)acetate
CCCCCCCCCCCCCCCc1cccc(OCC(=O)OCC)c1
|
C25H42O3 390.608000 |
PISZURKEVBXQNK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50603420; PubChem:CID5169559
|
Local ready
Direct docking supported
|