| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L030261
BDB030261
|
US11691968, Example 90
CC(c1cc(C(=O)N2CC3C(C2)C3C2=NOC(C)(C)C2)n[nH]1)C1CC1
|
C19H26N4O2 342.443000 |
RYEBCOQFDQVKMA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608092; PubChem:CID166520631
|
Local ready
Direct docking supported
|
|
E3L030262
BDB030262
|
US11691968, Example 93
CC1CC(C2C3CN(C(=O)c4cc(C(C)C)[nH]n4)CC32)=NO1
|
C16H22N4O2 302.378000 |
OFXIUJPERIJIDL-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608093; PubChem:CID167524557
|
Local ready
Direct docking supported
|
|
E3L030263
BDB030263
|
US11691968, Example 96
CC(C)c1cc(C(=O)N2CC3C(C2)C3C2=NO[C@H]3C[C@@H]23)n[nH]1
|
C16H20N4O2 300.362000 |
DMJOAMKLRRKMIQ-JLOSBCDXSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608094; PubChem:CID167524524
|
Local ready
Direct docking supported
|
|
E3L030264
BDB030264
|
US11691968, Example 103
Cc1cc(C2C3CN(C(=O)c4cc(C(C)C)[nH]n4)CC32)no1
|
C16H20N4O2 300.362000 |
LUJXOVMHWKSELP-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608095; PubChem:CID167524471
|
Local ready
Direct docking supported
|
|
E3L030265
BDB030265
|
US11691968, Example 104
Cc1c(C2C3CN(C(=O)c4cc(C(C)C)[nH]n4)CC32)noc1C(F)F
|
C17H20F2N4O2 350.369000 |
QGFZGGVFNFPGOT-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608096; PubChem:CID167524556
|
Local ready
Direct docking supported
|
|
E3L030266
BDB030266
|
BDBM608097
Cc1onc(C23CC2CN(C(=O)c2cc(C(C)C)[nH]n2)C3)c1-c1ccccn1
|
C21H23N5O2 377.448000 |
FOLPGDAZHYYGCR-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608097; PubChem:CID177667902
|
Local ready
Direct docking supported
|
|
E3L030267
BDB030267
|
US11691968, Example 110
CCN1C(C2C3CN(C(=O)c4cc(C(C)C)[nH]n4)CC32)=NOC1(C)C
|
C18H27N5O2 345.447000 |
WNMSAEZBWGERAJ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608098; PubChem:CID167524491
|
Local ready
Direct docking supported
|
|
E3L030268
BDB030268
|
US11691968, Example 119
Cc1nnc(C2C3CN(C(=O)c4cc(C(C)C)[nH]n4)CC32)o1
|
C15H19N5O2 301.350000 |
CYFAMTDXPAULQB-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608099; PubChem:CID166520466
|
Local ready
Direct docking supported
|
|
E3L030269
BDB030269
|
BDBM608100
CC(C)c1cc(C(=O)N2CC3C(C2)C3c2nncn2-c2ccccc2)n[nH]1
|
C20H22N6O 362.437000 |
SRCLZOWSBJWRHE-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608100; PubChem:CID167524510
|
Local ready
Direct docking supported
|
|
E3L030270
BDB030270
|
US11691968, Example 124
Cc1nnc(C2C3CN(C(=O)c4cc(C(C)C)[nH]n4)CC32)n1C1CCC1
|
C19H26N6O 354.458000 |
ZCQXGIMHFOVPJD-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608101; PubChem:CID167524585
|
Local ready
Direct docking supported
|
|
E3L030271
BDB030271
|
US11691968, Example 131
COc1ccc2nnc(C3C4CN(C(=O)c5cc(C(C)C)[nH]n5)CC43)n2c1
|
C19H22N6O2 366.425000 |
UFHRTICHHRRLDO-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608102; PubChem:CID167524599
|
Local ready
Direct docking supported
|
|
E3L030272
BDB030272
|
BDBM608103
CC(C)c1cc(C(=O)N2CC3C(C2)C3c2nnn3ccccc23)n[nH]1
|
C18H20N6O 336.399000 |
FQUWGCSBYSBXEN-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608103; PubChem:CID167524470
|
Local ready
Direct docking supported
|
|
E3L030273
BDB030273
|
US11691968, Example 134
CC(C)c1cc(C(=O)N2CC3C(C2)C3c2nnn[nH]2)n[nH]1
|
C13H17N7O 287.327000 |
BEDOONDXYRCODZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608104; PubChem:CID167524603
|
Local ready
Direct docking supported
|
|
E3L030274
BDB030274
|
US11691968, Example 136
CC(C)NC(=O)C1C2CN(C(=O)c3cc(C(C)C)[nH]n3)CC21
|
C16H24N4O2 304.394000 |
IXZBELFRWCXTJD-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608105; PubChem:CID167524562
|
Local ready
Direct docking supported
|
|
E3L030275
BDB030275
|
US11691968, Example 138
CC(C)c1cc(C(=O)N2CC3C(C2)C3C(=O)N(C)C2(C)CC2)n[nH]1
|
C18H26N4O2 330.432000 |
XAMIISPKWLOZMY-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608106; PubChem:CID167524468
|
Local ready
Direct docking supported
|
|
E3L030276
BDB030276
|
US11691968, Example 144
CC1(C2=NOC3(CC3)C2)C2CN(C(=O)c3cc(C4CC4)[nH]n3)CC21
|
C18H22N4O2 326.400000 |
QOPDDFLFASZUIC-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608107; PubChem:CID166520560
|
Local ready
Direct docking supported
|
|
E3L030277
BDB030277
|
US11691968, Example 145
CC(C)c1cc(C(=O)N2CC3C(C2)C3(C)C(=O)NC(C)(C)C)n[nH]1
|
C18H28N4O2 332.448000 |
CAHHCIKCQPEOLD-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608108; PubChem:CID167524495
|
Local ready
Direct docking supported
|
|
E3L030278
BDB030278
|
Thieno[3,2-c]quinolin-4(5H)-one
O=c1[nH]c2ccccc2c2sccc12
|
C11H7NOS 201.250000 |
DSNJDLWXDIHPKN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610066; PubChem:CID11535765
|
Local ready
Direct docking supported
|
|
E3L030279
BDB030279
|
BDBM610067
CN(C)CCNC(=O)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C16H17N3O2S 315.398000 |
LSYIJYKMZGXUON-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610067; PubChem:CID57664203
|
Local ready
Direct docking supported
|
|
E3L030280
BDB030280
|
BDBM610070
COC(=O)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C13H9NO3S 259.286000 |
BEPHIMXUTWXXJJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610070; PubChem:CID50941659
|
Local ready
Direct docking supported
|