| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L059721
BDB059721
|
BDBM50534529
CCNC(=O)c1c(O)c2ccncc2[nH]c1=O
|
C11H11N3O3 233.227000 |
RTMUDFJHLBNEDM-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50534529; PubChem:CID121488114
|
Local ready
Direct docking supported
|
|
E3L059722
BDB059722
|
4-Hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile
N#Cc1c(O)c2ccccc2[nH]c1=O
|
C10H6N2O2 186.170000 |
CRRUFISVDCIBAP-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50534530; PubChem:CID54694513
|
Local ready
Direct docking supported
|
|
E3L059723
BDB059723
|
BDBM50534531
CCOC(=O)c1c(O)nc2ccccc2c1O
|
C12H11NO4 233.223000 |
LGLPFJDOUVCBNP-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50534531; PubChem:CID54684458
|
Local ready
Direct docking supported
|
|
E3L059724
BDB059724
|
1,7-Naphthyridine-2,4-diol
O=c1cc(O)c2ccncc2[nH]1
|
C8H6N2O2 162.148000 |
KIUIMHFSJVDAKN-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50534532; PubChem:CID54720991
|
Local ready
Direct docking supported
|
|
E3L059725
BDB059725
|
BDBM50534533
CNC(=O)c1c(O)c2ccncc2[nH]c1=O
|
C10H9N3O3 219.200000 |
JDFLZZCQYRAWON-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50534533; PubChem:CID155534870
|
Local ready
Direct docking supported
|
|
E3L059726
BDB059726
|
3-Ethyl-4-hydroxy-1,7-naphthyridin-2(1H)-one
CCc1c(O)c2ccncc2[nH]c1=O
|
C10H10N2O2 190.202000 |
NVMGJQDICSXVPD-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50534534; PubChem:CID155531371
|
Local ready
Direct docking supported
|
|
E3L059727
BDB059727
|
BDBM50534535
CCN(C)C(=O)c1c(O)c2ccncc2[nH]c1=O
|
C12H13N3O3 247.254000 |
UNDSRBFKGILIBW-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50534535; PubChem:CID155565224
|
Local ready
Direct docking supported
|
|
E3L059728
BDB059728
|
BDBM50534536
CCOC(=O)c1c(O)c2cccnc2[nH]c1=O
|
C11H10N2O4 234.211000 |
HOHNPZFKJNMKDE-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50534536; PubChem:CID54731416
|
Local ready
Direct docking supported
|
|
E3L059729
BDB059729
|
BDBM50535011
O=C1NCCn2c(-c3ccc(CN4CCCCC4)cc3)nc3cncc1c32
|
C21H23N5O 361.449000 |
PXRMBQQQUKXLOM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50535011; PubChem:CID155559491
|
Local ready
Direct docking supported
|
|
E3L059730
BDB059730
|
BDBM50535012
O=C1NCCn2c(C3CCN(Cc4ccccc4)CC3)nc3cncc1c32
|
C21H23N5O 361.449000 |
ZEXCKQPPOYSAKB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50535012; PubChem:CID155539891
|
Local ready
Direct docking supported
|
|
E3L059731
BDB059731
|
BDBM50535013
O=C1NCCn2c(-c3ccc(N4CCNCC4)cc3)nc3cncc1c32
|
C19H20N6O 348.410000 |
OXPYBSCJVUBKOV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50535013; PubChem:CID132601763
|
Local ready
Direct docking supported
|
|
E3L059732
BDB059732
|
BDBM50535014
O=C1NCCn2c(-c3ccc(CN4CCCC4)cc3)nc3cncc1c32
|
C20H21N5O 347.422000 |
WRHFQRFZDKQGDY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50535014; PubChem:CID155553328
|
Local ready
Direct docking supported
|
|
E3L059733
BDB059733
|
BDBM50535015
O=C1NCCn2c(-c3ccccc3)nc3cncc1c32
|
C15H12N4O 264.288000 |
HGEXZETWBZYAAC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50535015; PubChem:CID155526492
|
Local ready
Direct docking supported
|
|
E3L059734
BDB059734
|
BDBM50535016
CCNCc1ccc(-c2nc3cncc4c3n2CCNC4=O)cc1
|
C18H19N5O 321.384000 |
NLVNPTRNTQDKPQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50535016; PubChem:CID132601764
|
Local ready
Direct docking supported
|
|
E3L059735
BDB059735
|
BDBM50535017
CNCc1ccc(-c2nc3cncc4c3n2CCNC4=O)cc1
|
C17H17N5O 307.357000 |
WFZXKJNCDQJJDD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50535017; PubChem:CID132601765
|
Local ready
Direct docking supported
|
|
E3L059736
BDB059736
|
BDBM50535018
CC(C)CN1CCC(c2nc3cncc4c3n2CCNC4=O)CC1
|
C18H25N5O 327.432000 |
QBGORSWTCHSEMS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50535018; PubChem:CID132601761
|
Local ready
Direct docking supported
|
|
E3L059737
BDB059737
|
BDBM50535019
CC(C)(C)NCc1ccc(-c2nc3cncc4c3n2CCNC4=O)cc1
|
C20H23N5O 349.438000 |
UDCOWIQKFZTVSX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50535019; PubChem:CID155527263
|
Local ready
Direct docking supported
|
|
E3L059738
BDB059738
|
BDBM50535020
CC(C)NCc1ccc(-c2nc3cncc4c3n2CCNC4=O)cc1
|
C19H21N5O 335.411000 |
CTRBOOAURSCBSQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50535020; PubChem:CID155523613
|
Local ready
Direct docking supported
|
|
E3L059739
BDB059739
|
BDBM50535021
CN1CCN(c2ccc(-c3nc4cncc5c4n3CCNC5=O)cc2)CC1
|
C20H22N6O 362.437000 |
SGPLMYUKLQIIKO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50535021; PubChem:CID155562830
|
Local ready
Direct docking supported
|
|
E3L059740
BDB059740
|
BDBM50535022
CCCCN1CCC(c2nc3cncc4c3n2CCNC4=O)CC1
|
C18H25N5O 327.432000 |
QYCLZIQHPGBRDE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50535022; PubChem:CID155523548
|
Local ready
Direct docking supported
|