| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L059621
BDB059621
|
BDBM50531143
N#CC1(c2cc(NS(=O)(=O)c3cc(Br)cc4cccnc34)c(O)c(C(=O)O)c2)CCC1
|
C21H16BrN3O5S 502.346000 |
YBOXBNDKAUHBOR-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50531143; PubChem:CID155545084
|
Local ready
Direct docking supported
|
|
E3L059622
BDB059622
|
BDBM50531655
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(c1)OC[C@H]2CC(=O)O
|
C22H18F3NO4S 449.450000 |
YBBZJHLFUPKHJD-CQSZACIVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50531655; PubChem:CID155565451
|
Local ready
Direct docking supported
|
|
E3L059623
BDB059623
|
BDBM50531922
CC(C)n1cnc2c(NCc3cccc(C(F)(F)F)c3)ncnc21
|
C16H16F3N5 335.333000 |
REKSFCCYDQMSIN-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50531922; PubChem:CID49830252
|
Local ready
Direct docking supported
|
|
E3L059624
BDB059624
|
BDBM50531923
CC(C1CC1)n1cnc2c(NCc3cccc(C(F)(F)F)c3)nc(NCCN(C)C)nc21
|
C22H28F3N7 447.509000 |
GHRNSZVMIARHIS-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50531923; PubChem:CID138403252
|
Local ready
Direct docking supported
|
|
E3L059625
BDB059625
|
BDBM50532173
CCCCCCN(C)Cc1ccc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)cc1
|
C24H31N5O 405.546000 |
HJWSLDFYCQJXLZ-UHFFFAOYSA-N | P29375, P41229 | Lysine-specific demethylase 5A, Lysine-specific demethylase 5C |
BindingDB
BindingDB:BDBM50532173
|
Local ready
Direct docking supported
|
|
E3L059626
BDB059626
|
BDBM50532174
CCCCCCN(C)CCNC(=O)c1ccnc(-c2cc(C(=O)O)ccn2)c1
|
C21H28N4O3 384.480000 |
GIUZQCRIIBPLIJ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50532174; PubChem:CID155518256
|
Local ready
Direct docking supported
|
|
E3L059627
BDB059627
|
BDBM50532175
CCCCCCN(C)Cc1cccc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)c1
|
C24H31N5O 405.546000 |
OHXZVGXBNAAWBB-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532175
|
Local ready
Direct docking supported
|
|
E3L059628
BDB059628
|
BDBM50532176
CCCCCCN(C)CCc1ccc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)cc1
|
C25H33N5O 419.573000 |
MZLRXFKOAWCNNY-UHFFFAOYSA-N | P29375, P41229 | Lysine-specific demethylase 5A, Lysine-specific demethylase 5C |
BindingDB
BindingDB:BDBM50532176
|
Local ready
Direct docking supported
|
|
E3L059629
BDB059629
|
BDBM50532177
CCCCCCN(C)Cc1cc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)cs1
|
C22H29N5OS 411.575000 |
MSRPYQLIKRKXDL-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532177
|
Local ready
Direct docking supported
|
|
E3L059630
BDB059630
|
BDBM50532181
COc1cc(C2CN(C(=O)c3cc(COC[C@@H](O)CO)ccn3)C2)ccc1OCc1ccc(C2CC2)cc1
|
C30H34N2O6 518.610000 |
LTTJGQBDGMNWHJ-SANMLTNESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50532181; PubChem:CID49806372
|
Local ready
Direct docking supported
|
|
E3L059631
BDB059631
|
delta9-Tetrahydrocannabinolic acid
CCCCCc1cc2c(c(O)c1C(=O)O)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2
|
C22H30O4 358.478000 |
UCONUSSAWGCZMV-HZPDHXFCSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50532210; PubChem:CID98523
|
Local ready
Direct docking supported
|
|
E3L059632
BDB059632
|
6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
Cn1ccc2cc[nH]c2c1=O
|
C8H8N2O 148.165000 |
ZLKWLYKVKAVOMD-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50532325; PubChem:CID638578
|
Local ready
Direct docking supported
|
|
E3L059633
BDB059633
|
BDBM50532326
C/C=C/Cn1cc(-c2cccc(C(=O)N(C)C)c2)c2cc[nH]c2c1=O
|
C20H21N3O2 335.407000 |
RJEMCUZKQLRUIS-SNAWJCMRSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50532326; PubChem:CID121335190
|
Local ready
Direct docking supported
|
|
E3L059634
BDB059634
|
BDBM50532781
CCc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Oc3ncnc4cc(OC)c(OC)cc34)c(F)c1)c(C)n2C
|
C30H27FN4O5 542.567000 |
IKENQUDOTQBCJH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50532781; PubChem:CID126617676
|
Local ready
Direct docking supported
|
|
E3L059635
BDB059635
|
BDBM50532922
COCCn1cc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)cn1
|
C16H18N6O2 326.360000 |
BFKOJILIFLJOJG-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532922
|
Local ready
Direct docking supported
|
|
E3L059636
BDB059636
|
BDBM50532923
CC(C)c1c(-c2cn[nH]c2)[nH]c2c(C#N)cnn2c1=O
|
C13H12N6O 268.280000 |
VLSJAOQZEZECGT-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532923
|
Local ready
Direct docking supported
|
|
E3L059637
BDB059637
|
BDBM50532924
CC(C)c1c(-c2cccc(OC(F)(F)F)c2)[nH]c2c(C#N)cnn2c1=O
|
C17H13F3N4O2 362.311000 |
VVIDVTNEXASXHT-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532924
|
Local ready
Direct docking supported
|
|
E3L059638
BDB059638
|
BDBM50532925
CC(C)c1c(/C=C/c2ccccc2)[nH]c2c(C#N)cnn2c1=O
|
C18H16N4O 304.353000 |
QYRVSHNMBNCPNU-CMDGGOBGSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532925
|
Local ready
Direct docking supported
|
|
E3L059639
BDB059639
|
BDBM50532926
N#Cc1cnn2c(=O)c(Br)c(-c3ccccc3)[nH]c12
|
C13H7BrN4O 315.130000 |
UULATEZVUNPAQS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532926
|
Local ready
Direct docking supported
|
|
E3L059640
BDB059640
|
BDBM50532927
C/C=C/c1[nH]c2c(C#N)cnn2c(=O)c1C(C)C
|
C13H14N4O 242.282000 |
WOSBSWHUUKBRPZ-SNAWJCMRSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532927
|
Local ready
Direct docking supported
|