| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049381
BDB049381
|
BDBM50238261
Cc1noc(C)c1-c1ccc2c(c1)nc(CCc1ccccc1)n2CC(=O)N1CCOCC1
|
C26H28N4O3 444.535000 |
SHSMIMZSNBLZIR-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50238261; PubChem:CID137649906
|
Local ready
Direct docking supported
|
|
E3L049382
BDB049382
|
BDBM50238262
Cc1noc(C)c1-c1ccc2c(c1)nc(CCc1ccc(O)cc1)n2CCN1CCOCC1
|
C26H30N4O3 446.551000 |
IHMAXOIAPQRYDN-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50238262; PubChem:CID137654008
|
Local ready
Direct docking supported
|
|
E3L049383
BDB049383
|
BDBM50238263
Cc1noc(C)c1-c1ccc2c(c1)nc(CCc1ccccn1)n2CCN1CCOCC1
|
C25H29N5O2 431.540000 |
MXTHEFKKFAIKMZ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50238263; PubChem:CID137637179
|
Local ready
Direct docking supported
|
|
E3L049384
BDB049384
|
BDBM50238264
Cc1noc(C)c1-c1ccc2c(c1)nc(CCc1c[nH]c3ccccc13)n2CCN1CCOCC1
|
C28H31N5O2 469.589000 |
OZXSCORMLCXALA-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50238264; PubChem:CID137631784
|
Local ready
Direct docking supported
|
|
E3L049385
BDB049385
|
BDBM50238416
O=C(c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCN(c2ncccn2)CC1
|
C23H20N10O 452.482000 |
KDDGVZUMYJMSJB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50238416; PubChem:CID73441896
|
Local ready
Direct docking supported
|
|
E3L049386
BDB049386
|
BDBM50238419
Cn1cnc(C(=O)N2CCN(C(=O)c3ccc(Nc4nc5ccccc5n5nnnc45)cc3)CC2)c1
|
C24H22N10O2 482.508000 |
YFNNDVKJUPAWSW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50238419; PubChem:CID73388373
|
Local ready
Direct docking supported
|
|
E3L049387
BDB049387
|
BDBM50238425
CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
|
C17H16N6 304.357000 |
AGAFBFBLFFSDKG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50238425; PubChem:CID22431503
|
Local ready
Direct docking supported
|
|
E3L049388
BDB049388
|
BDBM50238428
O=C(c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCOCC1
|
C19H17N7O2 375.392000 |
HWBRIQBWLONMBS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50238428; PubChem:CID22432631
|
Local ready
Direct docking supported
|
|
E3L049389
BDB049389
|
BDBM50238534
COC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2[nH]1
|
C17H15N3O3S 341.392000 |
SCEBBGSXNAEZPW-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50238534; PubChem:CID935304
|
Local ready
Direct docking supported
|
|
E3L049390
BDB049390
|
BDBM50238535
Cc1ccc(OCc2nnc3sc(-c4cccnc4)nn23)cc1
|
C16H13N5OS 323.381000 |
CCNPSPXWWILOQU-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50238535; PubChem:CID14416661
|
Local ready
Direct docking supported
|
|
E3L049391
BDB049391
|
N-(2,5-dihydro-1,3-thiazol-5-yl)-2,4-dimethoxybenzamide
COc1ccc(C(=O)NC2C=NCS2)c(OC)c1
|
C12H14N2O3S 266.322000 |
QOLQSBBPFXPPEY-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50238536; PubChem:CID137646017
|
Local ready
Direct docking supported
|
|
E3L049392
BDB049392
|
BDBM50238537
COC(=O)c1ccccc1NC(=O)CSc1nc2c(Cl)cccc2[nH]1
|
C17H14ClN3O3S 375.837000 |
DLIOJXXDGNNPJA-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50238537; PubChem:CID137649908
|
Local ready
Direct docking supported
|
|
E3L049393
BDB049393
|
BDBM50238538
COC(=O)c1ccccc1NC(=O)CSc1nc2c(C)cccc2[nH]1
|
C18H17N3O3S 355.419000 |
ZIHSDLLMPWYVGH-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50238538; PubChem:CID137657438
|
Local ready
Direct docking supported
|
|
E3L049394
BDB049394
|
BDBM50238539
COC(=O)c1ccccc1NC(=O)CSc1nc2c(OC)cccc2[nH]1
|
C18H17N3O4S 371.418000 |
SSBBDQUIHDWUMZ-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50238539; PubChem:CID135223476
|
Local ready
Direct docking supported
|
|
E3L049395
BDB049395
|
BDBM50238540
COC(=O)c1ccccc1NC(=O)CSc1nc2cc(O)ccc2[nH]1
|
C17H15N3O4S 357.391000 |
WTYJKUDMDXNBEV-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50238540; PubChem:CID137654201
|
Local ready
Direct docking supported
|
|
E3L049396
BDB049396
|
BDBM50238541
COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
|
C18H17N3O4S 371.418000 |
GZBULYAKSCNNPA-UHFFFAOYSA-N | Q96L73, Q9BQA1 | Protein arginine N-methyltransferase 5, Histone-lysine N-methyltransferase, H3 lysine-36 specific |
BindingDB, PubChem
BindingDB:BDBM50238541; PubChem:CID1002773
|
Local ready
Direct docking supported
|
|
E3L049397
BDB049397
|
BDBM50238542
CCOc1ccc2[nH]c(SCC(=O)Nc3ccccc3C(=O)OC)nc2c1
|
C19H19N3O4S 385.445000 |
NOTMKVYROJWYEQ-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50238542; PubChem:CID1289833
|
Local ready
Direct docking supported
|
|
E3L049398
BDB049398
|
BDBM50238543
CCCOc1ccc2[nH]c(SCC(=O)Nc3ccccc3C(=O)OC)nc2c1
|
C20H21N3O4S 399.472000 |
HZVOIFKSZKHVFP-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50238543; PubChem:CID137654101
|
Local ready
Direct docking supported
|
|
E3L049399
BDB049399
|
BDBM50238544
COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC(C)C)ccc2[nH]1
|
C20H21N3O4S 399.472000 |
YTQNGAYMWNXHKS-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50238544; PubChem:CID137632906
|
Local ready
Direct docking supported
|
|
E3L049400
BDB049400
|
BDBM50238545
COC(=O)c1ccccc1NC(=O)CSc1nc2cc(F)ccc2[nH]1
|
C17H14FN3O3S 359.382000 |
NLBOPOVQNPJWGV-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50238545; PubChem:CID137637851
|
Local ready
Direct docking supported
|