| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L014201
BDB014201
|
BDBM320282
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1C(F)(F)F)N1CCN(c2cnc3[nH]cnc3c2)CC1
|
C27H22F3N7O2 533.514000 |
KJYJSKYBHPMULH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM320282; PubChem:CID122632817
|
Local ready
Direct docking supported
|
|
E3L014202
BDB014202
|
BDBM320283
COc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(c2cnc3[nH]cnc3c2)CC1
|
C27H25N7O3 495.543000 |
AULNAPPLKRYRNF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM320283; PubChem:CID122632809
|
Local ready
Direct docking supported
|
|
E3L014203
BDB014203
|
3-chloro-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
O=C(O)c1ccnc2c(Cl)c[nH]c12
|
C8H5ClN2O2 196.593000 |
UAFNSWUBMGTOQA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320361; PubChem:CID53412620
|
Local ready
Direct docking supported
|
|
E3L014204
BDB014204
|
US10174026, Example 2
O=C(O)c1ccnc2cc(-c3ccccc3)[nH]c12
|
C14H10N2O2 238.246000 |
FEZIKLVLFANZBD-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320362; PubChem:CID86280871
|
Local ready
Direct docking supported
|
|
E3L014205
BDB014205
|
US10174026, Example 3
Cc1ccccc1-c1cc2nccc(C(=O)O)c2[nH]1
|
C15H12N2O2 252.273000 |
WXKUUFVPZNAMJQ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320363; PubChem:CID86280872
|
Local ready
Direct docking supported
|
|
E3L014206
BDB014206
|
US10174026, Example 6
COC(=O)c1ccnc2cc(Cc3ccccc3)[nH]c12
|
C16H14N2O2 266.300000 |
GGDVOVFHOWTHRR-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320364; PubChem:CID86280873
|
Local ready
Direct docking supported
|
|
E3L014207
BDB014207
|
2-benzyl-1H-pyrrolo[3,2-b] pyridine-7-carboxylic acid
O=C(O)c1ccnc2cc(Cc3ccccc3)[nH]c12
|
C15H12N2O2 252.273000 |
KPJOSXHPFIXXLA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320365; PubChem:CID86280874
|
Local ready
Direct docking supported
|
|
E3L014208
BDB014208
|
2-propyl-1H-pyrrolo[3,2-b] pyridine-7-carboxylic acid
CCCc1cc2nccc(C(=O)O)c2[nH]1
|
C11H12N2O2 204.229000 |
BCKHEWHZZBHBHG-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320366; PubChem:CID117637351
|
Local ready
Direct docking supported
|
|
E3L014209
BDB014209
|
BDBM320367
O=C(O)c1ccnc2cc(CO)[nH]c12
|
C9H8N2O3 192.174000 |
QGEQDCNJTLKLCD-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320367; PubChem:CID86280875
|
Local ready
Direct docking supported
|
|
E3L014210
BDB014210
|
BDBM320368
COC(=O)c1ccnc2cc(C3CC3)[nH]c12
|
C12H12N2O2 216.240000 |
CCZSPXJOTDZRFW-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320368; PubChem:CID86281015
|
Local ready
Direct docking supported
|
|
E3L014211
BDB014211
|
BDBM320369
O=C(O)c1ccnc2cc(C3CC3)[nH]c12
|
C11H10N2O2 202.213000 |
FMNOYQNBUJJDJY-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320369; PubChem:CID86281016
|
Local ready
Direct docking supported
|
|
E3L014212
BDB014212
|
US10174026, Example 5
CC(C)(O)c1cc2nccc(C(=O)O)c2[nH]1
|
C11H12N2O3 220.228000 |
CBVFSACWQSKTBS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320370; PubChem:CID86281017
|
Local ready
Direct docking supported
|
|
E3L014213
BDB014213
|
US10174026, Example 4
COC(=O)c1ccnc2cc(C(C)(C)O)[nH]c12
|
C12H14N2O3 234.255000 |
NTMWRTATHXGDLP-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320371; PubChem:CID86281018
|
Local ready
Direct docking supported
|
|
E3L014214
BDB014214
|
US10174026, Example 13
COC(=O)c1ccnc2cc(C3(O)CCCCC3)[nH]c12
|
C15H18N2O3 274.320000 |
VTOAKTBHCSDFGQ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320372; PubChem:CID86281019
|
Local ready
Direct docking supported
|
|
E3L014215
BDB014215
|
US10174026, Example 14
O=C(O)c1ccnc2cc(C3(O)CCCCC3)[nH]c12
|
C14H16N2O3 260.293000 |
MDKIIFAUVUDOPJ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320373; PubChem:CID117631083
|
Local ready
Direct docking supported
|
|
E3L014216
BDB014216
|
US10174026, Example 15
COC(=O)c1ccnc2cc(-c3ccc(OC)cc3C)[nH]c12
|
C17H16N2O3 296.326000 |
DDAUBHYKYBXPQN-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320374; PubChem:CID117631121
|
Local ready
Direct docking supported
|
|
E3L014217
BDB014217
|
US10174026, Example 17
COC(=O)c1ccnc2cc(C(C)O)[nH]c12
|
C11H12N2O3 220.228000 |
UGCQDKIVJKTGIJ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320375; PubChem:CID86281020
|
Local ready
Direct docking supported
|
|
E3L014218
BDB014218
|
US10174026, Example 18
CC(O)c1cc2nccc(C(=O)O)c2[nH]1
|
C10H10N2O3 206.201000 |
RMCMBFPHTFWEBT-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320376; PubChem:CID86281021
|
Local ready
Direct docking supported
|
|
E3L014219
BDB014219
|
US10174026, Example 16
COc1ccc(-c2cc3nccc(C(=O)O)c3[nH]2)c(C)c1
|
C16H14N2O3 282.299000 |
DEOQWVFWHCSFQH-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320377; PubChem:CID86281022
|
Local ready
Direct docking supported
|
|
E3L014220
BDB014220
|
US10174026, Example 20
O=C(O)c1ccnc2cc(C(O)c3ccccc3)[nH]c12
|
C15H12N2O3 268.272000 |
XBZYAXJUHFHHRJ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320378; PubChem:CID86281023
|
Local ready
Direct docking supported
|