| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L059661
BDB059661
|
BDBM50532948
C=Cc1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O
|
C15H10N4O 262.272000 |
NJCOMIGVIDNVQG-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532948
|
Local ready
Direct docking supported
|
|
E3L059662
BDB059662
|
BDBM50532949
CC#CCc1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O
|
C17H12N4O 288.310000 |
HWHCSQMEOGVUSS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532949
|
Local ready
Direct docking supported
|
|
E3L059663
BDB059663
|
BDBM50532950
COc1cc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)ccn1
|
C16H15N5O2 309.329000 |
HOOLEAZKFKSGHG-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532950
|
Local ready
Direct docking supported
|
|
E3L059664
BDB059664
|
BDBM50532951
CC(C)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2c(C#N)cnn2c1=O
|
C17H13F3N4O 346.312000 |
FEHFWECQDYPLBF-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532951
|
Local ready
Direct docking supported
|
|
E3L059665
BDB059665
|
BDBM50532952
CC(C)c1c(N2CCCCC2)[nH]c2c(C#N)cnn2c1=O
|
C15H19N5O 285.351000 |
ZDLWLESJKNESAT-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532952
|
Local ready
Direct docking supported
|
|
E3L059666
BDB059666
|
BDBM50532953
CCc1[nH]c2c(C#N)cnn2c(=O)c1C(C)C
|
C12H14N4O 230.271000 |
AOYPTCYJEACFTJ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532953
|
Local ready
Direct docking supported
|
|
E3L059667
BDB059667
|
BDBM50532954
COC(=O)c1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O
|
C15H10N4O3 294.270000 |
NIKIOUGPAAMXDS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532954
|
Local ready
Direct docking supported
|
|
E3L059668
BDB059668
|
BDBM50532955
C=CC(C)c1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O
|
C17H14N4O 290.326000 |
GMGWCLPOEYUQNF-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532955
|
Local ready
Direct docking supported
|
|
E3L059669
BDB059669
|
BDBM50532956
C#CCc1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O
|
C16H10N4O 274.283000 |
CSRNEPFYKMVSPV-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532956
|
Local ready
Direct docking supported
|
|
E3L059670
BDB059670
|
BDBM50532957
C#CC(C)c1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O
|
C17H12N4O 288.310000 |
ZJGZLFHFQYVNQX-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532957
|
Local ready
Direct docking supported
|
|
E3L059671
BDB059671
|
BDBM50532958
CC(C)c1c(-c2cnn(CCC#N)c2)[nH]c2c(C#N)cnn2c1=O
|
C16H15N7O 321.344000 |
GQCYQZVEVNZFJM-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532958
|
Local ready
Direct docking supported
|
|
E3L059672
BDB059672
|
BDBM50532959
CC(C)c1c(-c2cnn(C(C)C)c2)[nH]c2c(C#N)cnn2c1=O
|
C16H18N6O 310.361000 |
YUZKNKANEKVAKN-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532959
|
Local ready
Direct docking supported
|
|
E3L059673
BDB059673
|
BDBM50532960
CC(C)c1c(-c2ccco2)[nH]c2c(C#N)cnn2c1=O
|
C14H12N4O2 268.276000 |
NSQQRIIGNRPJLI-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532960
|
Local ready
Direct docking supported
|
|
E3L059674
BDB059674
|
BDBM50532961
CC(C)c1c(-c2ccc(Cl)cc2)[nH]c2c(C#N)cnn2c1=O
|
C16H13ClN4O 312.760000 |
IWIMTXVBQAYNAB-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532961
|
Local ready
Direct docking supported
|
|
E3L059675
BDB059675
|
BDBM50532962
CC(C)c1c(-c2cnn(C3CC3)c2)[nH]c2c(C#N)cnn2c1=O
|
C16H16N6O 308.345000 |
HVWZVXNIDTTWSM-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532962
|
Local ready
Direct docking supported
|
|
E3L059676
BDB059676
|
BDBM50532963
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(NC(=O)CCCC(=O)NCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)cc3)c3ccccc23)cc1
|
C44H51N7O13S3 982.129000 |
SUBCRQHVMPHGLA-WOGPBLNHSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50532963
|
Local ready
Direct docking supported
|
|
E3L059677
BDB059677
|
BDBM50532964
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(NC(=O)CCCC(=O)NCCN)cc3)c3ccccc23)cc1
|
C34H37N5O11S2 755.828000 |
CRNAWNAMKHOBAI-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50532964; PubChem:CID155514454
|
Local ready
Direct docking supported
|
|
E3L059678
BDB059678
|
BDBM50532965
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(NC(=O)CCCC(=O)NCCNC(=S)Nc4ccc5c(c4)C(=O)OC54c5ccc(O)cc5Oc5cc(O)ccc54)cc3)c3ccccc23)cc1
|
C55H48N6O16S3 1145.216000 |
GOFLIUMEPLMLKX-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50532965
|
Local ready
Direct docking supported
|
|
E3L059679
BDB059679
|
BDBM50533243
COc1ccc(C2CC(c3ccc4ccccc4c3O)=NN2C(=S)Nc2cccc(OC)c2)cc1
|
C28H25N3O3S 483.593000 |
NGAGJZYKTLEWKK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50533243; PubChem:CID155539207
|
Local ready
Direct docking supported
|
|
E3L059680
BDB059680
|
BDBM50533304
CCn1c(C)nc2c(C#N)cnn2c1=O
|
C9H9N5O 203.205000 |
PASADWWTGMQVLA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50533304; PubChem:CID90418518
|
Local ready
Direct docking supported
|