| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053781
BDB053781
|
BDBM50353004
Cc1cccc(C)c1Oc1c(C(=O)N2CCN[C@@H](C(C)C)C2)c2ncccc2n1-c1ccccc1
|
C29H32N4O2 468.601000 |
QJUJYCLOLSJQQQ-HSZRJFAPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50353004; PubChem:CID56678783
|
Local ready
Direct docking supported
|
|
E3L053782
BDB053782
|
BDBM50353271
COc1ccc(-c2cc3ncc(S(=O)(=O)c4ccccc4)c(-c4ccccc4)n3n2)cc1
|
C25H19N3O3S 441.512000 |
FMLDHDYWNJCYNU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50353271; PubChem:CID1214628
|
Local ready
Direct docking supported
|
|
E3L053783
BDB053783
|
BDBM50353272
O=S(=O)(c1ccccc1)c1cnc2c(Br)c(-c3ccccc3)nn2c1-c1ccccc1
|
C24H16BrN3O2S 490.382000 |
VMIRZJYJPSMZDJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50353272; PubChem:CID1214629
|
Local ready
Direct docking supported
|
|
E3L053784
BDB053784
|
BDBM50353273
O=S(=O)(c1ccccc1)c1cnc2cc(-c3ccccc3)nn2c1-c1ccccc1
|
C24H17N3O2S 411.486000 |
KHPCUWVZYLONPS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50353273; PubChem:CID1214657
|
Local ready
Direct docking supported
|
|
E3L053785
BDB053785
|
BDBM50353274
Cc1cc2ncc(S(=O)(=O)c3ccccc3)c(-c3ccccc3)n2n1
|
C19H15N3O2S 349.415000 |
OJYVHWRDOUWIMS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50353274; PubChem:CID54768609
|
Local ready
Direct docking supported
|
|
E3L053786
BDB053786
|
BDBM50353275
O=S(=O)(c1ccccc1)c1cnc2ncnn2c1-c1ccccc1
|
C17H12N4O2S 336.376000 |
YLDJFJCEJAPZPO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50353275; PubChem:CID54768644
|
Local ready
Direct docking supported
|
|
E3L053787
BDB053787
|
BDBM50353276
O=S(=O)(c1ccccc1)c1cnc2cc(-c3ccc(Cl)cc3)nn2c1-c1ccccc1
|
C24H16ClN3O2S 445.931000 |
SKQLCILBFWYXCB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50353276; PubChem:CID1214627
|
Local ready
Direct docking supported
|
|
E3L053788
BDB053788
|
BDBM50353277
O=S(=O)(c1ccccc1)c1cnc2ncnn2c1-c1ccc(Cl)cc1
|
C17H11ClN4O2S 370.821000 |
FFZVHEXYFHQWGM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50353277; PubChem:CID54768645
|
Local ready
Direct docking supported
|
|
E3L053789
BDB053789
|
N-methyl-2-pyrrolidone
CN1CCCC1=O
|
C5H9NO 99.133000 |
SECXISVLQFMRJM-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50353587; PubChem:CID13387
|
Local ready
Direct docking supported
|
|
E3L053790
BDB053790
|
BDBM50353588
Cc1noc(C)c1-c1ccc2c(c1)CN(C)C(=O)N2
|
C14H15N3O2 257.293000 |
DRKGLYHLBGWKHL-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50353588; PubChem:CID39791103
|
Local ready
Direct docking supported
|
|
E3L053791
BDB053791
|
3,5-Dimethyl-4-phenylisoxazole
Cc1noc(C)c1-c1ccccc1
|
C11H11NO 173.215000 |
BHAXDAUULXCVEK-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50353589; PubChem:CID5325760
|
Local ready
Direct docking supported
|
|
E3L053792
BDB053792
|
1-[3-(3,5-Dimethyl-1,2-oxazol-4-yl)phenyl]ethanone
CC(=O)c1cccc(-c2c(C)noc2C)c1
|
C13H13NO2 215.252000 |
PQDJCPDVQWLFCE-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50353590; PubChem:CID44243549
|
Local ready
Direct docking supported
|
|
E3L053793
BDB053793
|
4-(3-Ethoxyphenyl)-3,5-dimethyl-1,2-oxazole
CCOc1cccc(-c2c(C)noc2C)c1
|
C13H15NO2 217.268000 |
WXDQJUHQGQVRKB-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50353591; PubChem:CID54757749
|
Local ready
Direct docking supported
|
|
E3L053794
BDB053794
|
1-[3-(3,5-Dimethyl-1,2-oxazol-4-yl)phenyl]ethanol
Cc1noc(C)c1-c1cccc(C(C)O)c1
|
C13H15NO2 217.268000 |
FXWIWZBTSLATJR-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50353592; PubChem:CID54757750
|
Local ready
Direct docking supported
|
|
E3L053795
BDB053795
|
Ethyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoate
CCOC(=O)c1cc(OCC)cc(-c2c(C)noc2C)c1
|
C16H19NO4 289.331000 |
JIXMVLQGJGPIIG-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50353593; PubChem:CID54757751
|
Local ready
Direct docking supported
|
|
E3L053796
BDB053796
|
3-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-5-Ethoxybenzoic Acid
CCOc1cc(C(=O)O)cc(-c2c(C)noc2C)c1
|
C14H15NO4 261.277000 |
GAMMHRRBGXCHRX-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50353594; PubChem:CID53308655
|
Local ready
Direct docking supported
|
|
E3L053797
BDB053797
|
BDBM50353595
CCOc1cc(C(C)=O)cc(-c2c(C)noc2C)c1
|
C15H17NO3 259.305000 |
MFVHCTKKQRFPQC-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50353595; PubChem:CID54757752
|
Local ready
Direct docking supported
|
|
E3L053798
BDB053798
|
BDBM50353596
CCOc1cc(-c2c(C)noc2C)cc(C(C)O)c1
|
C15H19NO3 261.321000 |
AONNGYBECNOVTK-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50353596; PubChem:CID54669868
|
Local ready
Direct docking supported
|
|
E3L053799
BDB053799
|
5-(4-Benzoylphenoxy)pentanoic acid
O=C(O)CCCCOc1ccc(C(=O)c2ccccc2)cc1
|
C18H18O4 298.338000 |
VUJRVDDYNPBLRS-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50353749; PubChem:CID56641249
|
Local ready
Direct docking supported
|
|
E3L053800
BDB053800
|
5-(4-Benzoylphenoxy)-2,2-dimethylpentanoic acid
CC(C)(CCCOc1ccc(C(=O)c2ccccc2)cc1)C(=O)O
|
C20H22O4 326.392000 |
IFYVGFZZXJZLRN-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50353750; PubChem:CID14086141
|
Local ready
Direct docking supported
|