| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L007981
BDB007981
|
BDBM191204
COc1cccc(C(=O)C2CCN(CC(=O)N(Cc3nc4c(c(=O)[nH]3)COCC4)CC(F)F)CC2)c1
|
C25H30F2N4O5 504.534000 |
DVRLXVRVRZISDR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191204; PubChem:CID136237490
|
Local ready
Direct docking supported
|
|
E3L007982
BDB007982
|
BDBM191209
CC#CCOc1ccc(C(=O)C2CCN(CC(=O)N(Cc3nc4c(c(=O)[nH]3)COCC4)CC3CC3)CC2)cc1
|
C30H36N4O5 532.641000 |
XSXNSAZKDIVZTL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191209; PubChem:CID136237296
|
Local ready
Direct docking supported
|
|
E3L007983
BDB007983
|
BDBM191213
O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NCc1nc2c(c(=O)[nH]1)COCC2
|
C22H26N6O4 438.488000 |
NJBICKNJLHIUBM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191213; PubChem:CID136237307
|
Local ready
Direct docking supported
|
|
E3L007984
BDB007984
|
BDBM191214
Cc1ccc(C(=O)C2CCN(CC(=O)NCc3nc4c(c(=O)[nH]3)COCC4)CC2)cc1
|
C23H28N4O4 424.501000 |
JLLCVKKYSDGUPY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191214; PubChem:CID136237308
|
Local ready
Direct docking supported
|
|
E3L007985
BDB007985
|
BDBM191215
CCCOc1ccc(C(=O)C2CCN(CC(=O)NCc3nc4c(c(=O)[nH]3)COCC4)CC2)cc1
|
C25H32N4O5 468.554000 |
XAQYIMOAZYNCLU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191215; PubChem:CID136237309
|
Local ready
Direct docking supported
|
|
E3L007986
BDB007986
|
BDBM191216
O=C(CN1CCC(C(=O)c2ccc(OCC3CC3)cc2)CC1)NCc1nc2c(c(=O)[nH]1)COCC2
|
C26H32N4O5 480.565000 |
GXKPLMIZTNQPMI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191216; PubChem:CID136237310
|
Local ready
Direct docking supported
|
|
E3L007987
BDB007987
|
BDBM191217
O=C(CN1CCC(C(=O)c2ccc(OCC3CCC3)cc2)CC1)NCc1nc2c(c(=O)[nH]1)COCC2
|
C27H34N4O5 494.592000 |
JJHZDQRUCBOSIK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191217; PubChem:CID136237321
|
Local ready
Direct docking supported
|
|
E3L007988
BDB007988
|
BDBM191218
O=C(CN1CCC(C(=O)c2ccc(OC3CCOCC3)cc2)CC1)NCc1nc2c(c(=O)[nH]1)COCC2
|
C27H34N4O6 510.591000 |
ONZUYVRREURPTH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191218; PubChem:CID136237322
|
Local ready
Direct docking supported
|
|
E3L007989
BDB007989
|
BDBM191219
COCCOc1ccc(C(=O)C2CCN(CC(=O)NCc3nc4c(c(=O)[nH]3)COCC4)CC2)cc1
|
C25H32N4O6 484.553000 |
YBDVEUNJLWDATQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191219; PubChem:CID136237323
|
Local ready
Direct docking supported
|
|
E3L007990
BDB007990
|
BDBM191220
O=C(CN1CCC(C(=O)c2ccc(OCCC3CC3)cc2)CC1)NCc1nc2c(c(=O)[nH]1)COCC2
|
C27H34N4O5 494.592000 |
WFJABTXVQUHYJP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191220; PubChem:CID136237324
|
Local ready
Direct docking supported
|
|
E3L007991
BDB007991
|
BDBM191222
O=C(CN1CCC(C(=O)c2ccc3c(c2)CCO3)CC1)NCc1nc2c(c(=O)[nH]1)COCC2
|
C24H28N4O5 452.511000 |
KCPVCFVLESRBRB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191222; PubChem:CID136237337
|
Local ready
Direct docking supported
|
|
E3L007992
BDB007992
|
BDBM191224
COc1ccc(C(=O)C2CCN(CC(=O)NCc3nc4c(c(=O)[nH]3)COCC4)CC2)cc1C
|
C24H30N4O5 454.527000 |
MMWOCAKTGVKRBA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191224; PubChem:CID136237339
|
Local ready
Direct docking supported
|
|
E3L007993
BDB007993
|
BDBM191228
COc1ccc(C(=O)C2CCN(CC(=O)NCc3cc4c(c(=O)[nH]3)COCC4)CC2)cc1
|
C24H29N3O5 439.512000 |
HFAGPKBDTDCMJD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191228; PubChem:CID71227412
|
Local ready
Direct docking supported
|
|
E3L007994
BDB007994
|
BDBM191596
Cc1[nH]c2c(C#N)cnn2c(=O)c1C(C)C
|
C11H12N4O 216.244000 |
UHVUUCAAVHIPKM-UHFFFAOYSA-N | P29375, P41229, Q9BY66 | Lysine-specific demethylase 5A, Lysine-specific demethylase 5C, Lysine-specific demethylase 5D |
BindingDB
BindingDB:BDBM191596
|
Local ready
Direct docking supported
|
|
E3L007995
BDB007995
|
BDBM191597
O=C(O)c1ccncc1Nc1nn(CCN2CCC(F)(F)CC2)c2ccc(F)cc12
|
C20H20F3N5O2 419.407000 |
QVELLOOBNULIGQ-UHFFFAOYSA-N | P29375, P41229, Q9BY66 | Lysine-specific demethylase 5A, Lysine-specific demethylase 5C, Lysine-specific demethylase 5D |
BindingDB, PubChem
BindingDB:BDBM191597; PubChem:CID90216621
|
Local ready
Direct docking supported
|
|
E3L007996
BDB007996
|
BDBM191598
CCN(CCN(C)C)C(=O)CNCc1cc(C(=O)O)ccn1
|
C15H24N4O3 308.382000 |
RGGMVQDDHDCRDM-UHFFFAOYSA-N | P29375, P41229, Q8NHM5, Q9BY66 | Lysine-specific demethylase 5C, Lysine-specific demethylase 5A, Lysine-specific demethylase 5D, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM191598; PubChem:CID86346639
|
Local ready
Direct docking supported
|
|
E3L007997
BDB007997
|
Kdm5-C70
CCOC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1
|
C17H28N4O3 336.436000 |
WCILOMUUNVPIKQ-UHFFFAOYSA-N | P29375, P41229, Q9BY66 | Lysine-specific demethylase 5A, Lysine-specific demethylase 5D, Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM191599; PubChem:CID90094283
|
Local ready
Direct docking supported
|
|
E3L007998
BDB007998
|
BDBM191600
Cc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1
|
C17H14ClN3O3 343.770000 |
PSOBPHXKKHPWMU-UHFFFAOYSA-N | P29375, P41229, Q8NHM5, Q9BY66 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B, Lysine-specific demethylase 5C, Lysine-specific demethylase 5D |
BindingDB, PubChem
BindingDB:BDBM191600; PubChem:CID74766595
|
Local ready
Direct docking supported
|
|
E3L007999
BDB007999
|
BDBM191601
O=C(Cc1ccc(Cl)cc1)Nc1cnccc1C(=O)O
|
C14H11ClN2O3 290.706000 |
BGMIWCIVXVXHDU-UHFFFAOYSA-N | P29375, P41229, Q9BY66 | Lysine-specific demethylase 5A, Lysine-specific demethylase 5C, Lysine-specific demethylase 5D |
BindingDB, PubChem
BindingDB:BDBM191601; PubChem:CID64393976
|
Local ready
Direct docking supported
|
|
E3L008000
BDB008000
|
BDBM191602
Cn1cc(Nc2cnccc2C(=O)O)c2cccnc21
|
C14H12N4O2 268.276000 |
RBGNHCYGFBRIRO-UHFFFAOYSA-N | P29375, P41229, Q9BY66 | Lysine-specific demethylase 5A, Lysine-specific demethylase 5C, Lysine-specific demethylase 5D |
BindingDB, PubChem
BindingDB:BDBM191602; PubChem:CID76283751
|
Local ready
Direct docking supported
|