| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047081
BDB047081
|
BDBM50158812
COC(=O)c1ccnc(-n2nccc2OCc2ccc(Cl)cc2)c1
|
C17H14ClN3O3 343.770000 |
CDSIWRGJSKHJRV-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50158812; PubChem:CID90205235
|
Local ready
Direct docking supported
|
|
E3L047082
BDB047082
|
BDBM50158816
Oc1nc(Oc2cnn(CCN3CCOCC3)c2)nc2cnccc12
|
C16H18N6O3 342.359000 |
GHYRIRPRPLDPMF-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50158816; PubChem:CID136048747
|
Local ready
Direct docking supported
|
|
E3L047083
BDB047083
|
BDBM50158819
CCS(=O)(=O)N1CC[C@H](n2cc(Oc3nc(O)c4ccncc4n3)cn2)C1
|
C16H18N6O4S 390.425000 |
DQKJPEFRHKBNRV-NSHDSACASA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50158819; PubChem:CID136048748
|
Local ready
Direct docking supported
|
|
E3L047084
BDB047084
|
BDBM50158825
Oc1nc(Oc2cnn([C@@H]3CCCN(Cc4ccccc4)C3)c2)nc2cnccc12
|
C22H22N6O2 402.458000 |
CCZFELUQXWMJLX-QGZVFWFLSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50158825; PubChem:CID136048749
|
Local ready
Direct docking supported
|
|
E3L047085
BDB047085
|
BDBM50158826
N#Cc1cnn2c(=O)c3c([nH]c12)CCCC3
|
C11H10N4O 214.228000 |
XTTNXYOVGZYVFK-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50158826
|
Local ready
Direct docking supported
|
|
E3L047086
BDB047086
|
BDBM50158828
CCc1c(C)nc2c(C#N)cnn2c1OC
|
C11H12N4O 216.244000 |
NIROIUUITQXVHP-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50158828; PubChem:CID78426128
|
Local ready
Direct docking supported
|
|
E3L047087
BDB047087
|
BDBM50158830
CC(C)c1c(-c2cnn(C(C)(C)C)c2)[nH]c2c(C#N)cnn2c1=O
|
C17H20N6O 324.388000 |
KRXWJZIHQRIGSJ-UHFFFAOYSA-N | P29375, P41229 | Lysine-specific demethylase 5C, Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50158830
|
Local ready
Direct docking supported
|
|
E3L047088
BDB047088
|
BDBM50158831
CC(C)Cn1cc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)cn1
|
C17H20N6O 324.388000 |
NVCPEMIYZIDHEV-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50158831
|
Local ready
Direct docking supported
|
|
E3L047089
BDB047089
|
BDBM50158832
CCc1c(C)[nH]c2c(-c3cnn(-c4cc(CO)ccn4)c3)cnn2c1=O
|
C18H18N6O2 350.382000 |
RYWHJDOTSDKUPT-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50158832
|
Local ready
Direct docking supported
|
|
E3L047090
BDB047090
|
3-(8-Hydroxyquinolin-6-YL)-N-(3-phenylpropyl)benzamide
O=C(NCCCc1ccccc1)c1cccc(-c2cc(O)c3ncccc3c2)c1
|
C25H22N2O2 382.463000 |
NYKBXXGHEMXSBB-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50158844; PubChem:CID127030711
|
Local ready
Direct docking supported
|
|
E3L047091
BDB047091
|
BDBM50158849
Cc1ccsc1C(NC(=O)c1ccccc1)c1cc(Cl)c2cccnc2c1O
|
C22H17ClN2O2S 408.910000 |
YNQCLJVWTGPRRD-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50158849; PubChem:CID122383780
|
Local ready
Direct docking supported
|
|
E3L047092
BDB047092
|
Tetrazole-5-acetohydrazide
NNC(=O)Cc1nnn[nH]1
|
C3H6N6O 142.122000 |
TWKUAKLZOIABHJ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50158850; PubChem:CID55281807
|
Local ready
Direct docking supported
|
|
E3L047093
BDB047093
|
BDBM50158856
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCCC[N+](C)(C)C)c(I)c1
|
C26H32I2NO3+ 660.354000 |
RAYYJFKZTSDKKM-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50158856; PubChem:CID127031895
|
Local ready
Direct docking supported
|
|
E3L047094
BDB047094
|
BDBM50158857
CCN(CC)CCCCNCc1cc(C=O)ccn1
|
C15H25N3O 263.385000 |
NHIASYVLWXWKDU-UHFFFAOYSA-N | P41229, Q8NHM5 | Lysine-specific demethylase 5C, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM50158857; PubChem:CID78427224
|
Local ready
Direct docking supported
|
|
E3L047095
BDB047095
|
BDBM50158858
CCN(CCN(C)C)C(=O)CNCc1cc(CNC(=O)C(F)(F)F)ccn1
|
C17H26F3N5O2 389.422000 |
NEJVXTLMGJPXNG-UHFFFAOYSA-N | P41229, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50158858; PubChem:CID78426670
|
Local ready
Direct docking supported
|
|
E3L047096
BDB047096
|
BDBM50158859
CCN(CCN(C)C)C(=O)CNCc1cc(C(=O)OC)ccn1
|
C16H26N4O3 322.409000 |
GJWPNPLANZERGA-UHFFFAOYSA-N | P41229, Q8NHM5 | Lysine-specific demethylase 5C, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM50158859; PubChem:CID90094442
|
Local ready
Direct docking supported
|
|
E3L047097
BDB047097
|
BDBM50158860
CCN1CCC[C@H](CNCc2cc(C(=O)O)ccn2)C1=O
|
C15H21N3O3 291.351000 |
SESICOAOPDFZFN-GFCCVEGCSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM50158860; PubChem:CID118420859
|
Local ready
Direct docking supported
|
|
E3L047098
BDB047098
|
Gsk-2879552
O=C(O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
|
C23H28N2O2 364.489000 |
LRULVYSBRWUVGR-FCHUYYIVSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50158869; PubChem:CID66571643
|
Local ready
Direct docking supported
|
|
E3L047099
BDB047099
|
Octyl 8-hydroxyquinoline-5-carboxylate
CCCCCCCCOC(=O)c1ccc(O)c2ncccc12
|
C18H23NO3 301.386000 |
YKHNNZLMYRHIDM-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50158888; PubChem:CID125377518
|
Local ready
Direct docking supported
|
|
E3L047100
BDB047100
|
4-Acetyl-3-Ethyl-N,5-Dimethyl-1h-Pyrrole-2-Carboxamide
CCc1c(C(=O)NC)[nH]c(C)c1C(C)=O
|
C11H16N2O2 208.261000 |
LCSLEHAEHBSCSA-UHFFFAOYSA-N | Q09472, Q92793 | Histone acetyltransferase p300, CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50159140; PubChem:CID47265390
|
Local ready
Direct docking supported
|