| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047061
BDB047061
|
Mrl20
COc1ccc(C(=O)n2c(C)c(Cc3ccccc3O[C@@H](C)C(=O)O)c3cc(OC(F)(F)F)ccc32)cc1
|
C28H24F3NO6 527.495000 |
BWTOBMCYVACNJZ-KRWDZBQOSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50157936; PubChem:CID10143056
|
Local ready
Direct docking supported
|
|
E3L047062
BDB047062
|
BDBM50157937
COc1ccc2c(c1)c(Cc1ccc(OC(C)C(=O)O)cc1)c(C)n2C(=O)c1ccc(Cl)cc1
|
C27H24ClNO5 477.944000 |
QEAQRCMOQDLSRU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50157937; PubChem:CID10116541
|
Local ready
Direct docking supported
|
|
E3L047063
BDB047063
|
BDBM50157938
COc1ccc2c(c1)c(Cc1ccc(OCC(=O)O)cc1)c(C)n2C(=O)c1ccc(Cl)cc1
|
C26H22ClNO5 463.917000 |
YAGQPGVXBAGTLQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50157938; PubChem:CID10226701
|
Local ready
Direct docking supported
|
|
E3L047064
BDB047064
|
BDBM50158429
Nc1ncnc2c1c(-c1cccc(OCC34CCC(CC3)O4)c1)cn2[C@H]1C[C@@H](CN2CCC2)C1
|
C27H33N5O2 459.594000 |
LYOCYPVMXHFJAK-YFHMBBFDSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50158429
|
Local ready
Direct docking supported
|
|
E3L047065
BDB047065
|
BDBM50158615
Cc1cc(/N=N/c2cc(S(=O)(=O)O)c(C)cc2C)c(N)cc1O
|
C15H17N3O4S 335.385000 |
UUECJWRVDTUDCB-ISLYRVAYSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50158615
|
Local ready
Direct docking supported
|
|
E3L047066
BDB047066
|
BDBM50158620
O=C(O)c1ccnc2cc(OCc3ccc(Cl)c(OCC4CC4)c3)[nH]c12
|
C19H17ClN2O4 372.808000 |
RHPSPIUSPOTEGT-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50158620; PubChem:CID127030937
|
Local ready
Direct docking supported
|
|
E3L047067
BDB047067
|
BDBM50158621
O=C(O)c1ccnc2cc(OCc3ccc(Cl)c(OC(F)(F)F)c3)[nH]c12
|
C16H10ClF3N2O4 386.713000 |
ZMBZYRJHWCFIQA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50158621; PubChem:CID127033048
|
Local ready
Direct docking supported
|
|
E3L047068
BDB047068
|
BDBM50158624
Cc1[nH]c(-c2cc(S(C)(=O)=O)ccc2Oc2ccc(F)cc2F)c2c1C(=O)NCC2
|
C21H18F2N2O4S 432.448000 |
QNOJAPBYTXGBLX-UHFFFAOYSA-N | O15164, Q92793 | CREB-binding protein, Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50158624; PubChem:CID77843982
|
Local ready
Direct docking supported
|
|
E3L047069
BDB047069
|
9-acetyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
CC(=O)n1c2c(c3ccccc31)CCCC2=O
|
C14H13NO2 227.263000 |
MIGJEXKBUJPKJF-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50158692; PubChem:CID853608
|
Local ready
Direct docking supported
|
|
E3L047070
BDB047070
|
2-(1-methyl-1H-imidazol-4-yl)pyridine-4-carboxylic acid
Cn1cnc(-c2cc(C(=O)O)ccn2)c1
|
C10H9N3O2 203.201000 |
CZNFQLDDPKKPMX-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM50158693; PubChem:CID86268882
|
Local ready
Direct docking supported
|
|
E3L047071
BDB047071
|
BDBM50158694
COc1ccc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)cc1
|
C17H15N3O3 309.325000 |
XGBOARWPNSLLHZ-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM50158694; PubChem:CID90407809
|
Local ready
Direct docking supported
|
|
E3L047072
BDB047072
|
BDBM50158695
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(OCC2CC2)cc1
|
C20H19N3O3 349.390000 |
MWJQMQXBUJYTHO-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50158695; PubChem:CID90407841
|
Local ready
Direct docking supported
|
|
E3L047073
BDB047073
|
US10273222, Example 62
Cn1cnc(-c2cc(-c3nnn[nH]3)ccn2)c1
|
C10H9N7 227.231000 |
JYEUQFOUZAUNTD-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM50158696; PubChem:CID90407594
|
Local ready
Direct docking supported
|
|
E3L047074
BDB047074
|
BDBM50158703
O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)cc2)c1
|
C16H12ClN3O3 329.743000 |
SMXDPQZYSIFABV-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50158703; PubChem:CID90204862
|
Local ready
Direct docking supported
|
|
E3L047075
BDB047075
|
BDBM50158755
O=C(O)c1ccnc(-n2ncc(CCO)c2OCc2ccc(F)cc2)c1
|
C18H16FN3O4 357.341000 |
MAYCQAAYKTWJKJ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50158755; PubChem:CID90205053
|
Local ready
Direct docking supported
|
|
E3L047076
BDB047076
|
3-(1-Adamantylmethylamino)pyridine-4-carboxylic acid
O=C(O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2
|
C17H22N2O2 286.375000 |
TUXVCHDESZTZON-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50158791; PubChem:CID77106319
|
Local ready
Direct docking supported
|
|
E3L047077
BDB047077
|
BDBM50158794
O=C(O)c1ccncc1Nc1nn(C2CCCC2)c2ccc(F)cc12
|
C18H17FN4O2 340.358000 |
LJHFNRZRNINLGH-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50158794; PubChem:CID76282772
|
Local ready
Direct docking supported
|
|
E3L047078
BDB047078
|
BDBM50158801
Cn1nc(Nc2cnccc2C(=O)O)c2cccnc21
|
C13H11N5O2 269.264000 |
ZNABVSMDKOBVOS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50158801; PubChem:CID90225370
|
Local ready
Direct docking supported
|
|
E3L047079
BDB047079
|
BDBM50158803
CC(C)Cn1nc(Nc2cnccc2C(=O)NC#N)c2cc(F)ccc21
|
C18H17FN6O 352.373000 |
HHHITATYTCPWBZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50158803; PubChem:CID90216982
|
Local ready
Direct docking supported
|
|
E3L047080
BDB047080
|
BDBM50158806
COc1cc(COc2cc3nccc(C(=O)O)c3[nH]2)ccc1Cl
|
C16H13ClN2O4 332.743000 |
VTUTUCVVSXMISL-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50158806; PubChem:CID127032730
|
Local ready
Direct docking supported
|