| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065221
BDB065221
|
BDBM50649045
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)n3cccc43)CC2)c(F)n1
|
C23H23FN6O2 434.475000 |
YLCGFZJPUPHSLL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50649045; PubChem:CID177379704
|
Local ready
Direct docking supported
|
|
E3L065222
BDB065222
|
BDBM50649046
CNC(=O)c1ccc(N2CCN(Cc3cc(F)c4c(c3)[nH]c(=O)n3cccc43)CC2)c(F)n1
|
C23H22F2N6O2 452.465000 |
QNJVMKQCYBBEMX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50649046; PubChem:CID171572855
|
Local ready
Direct docking supported
|
|
E3L065223
BDB065223
|
BDBM50649050
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)n3nccc43)CC2)c(C)n1
|
C23H25N7O2 431.500000 |
INTJRMUSLNEGSA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50649050; PubChem:CID171572902
|
Local ready
Direct docking supported
|
|
E3L065224
BDB065224
|
BDBM50649406
O=C(O)c1cc(NCc2ccc(-c3ccc(F)cc3)cc2)ccc1O
|
C20H16FNO3 337.350000 |
PEWZEZWZGJQFKN-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50649406; PubChem:CID172418941
|
Local ready
Direct docking supported
|
|
E3L065225
BDB065225
|
SMRT peptide
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC
|
C82H142N26O24 1876.196000 |
MQJWMJOEBDXBHH-YDVKLCRXSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50649525; PubChem:CID171904679
|
Local ready
Direct docking supported
|
|
E3L065226
BDB065226
|
BDBM50649544
COc1cc2nc(N3CCOCC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
|
C26H33N5O3 463.582000 |
VNFLAUPKYSXJGU-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50649544; PubChem:CID53315438
|
Local ready
Direct docking supported
|
|
E3L065227
BDB065227
|
BDBM50649545
COc1cc2nc(N(C)C)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
|
C24H31N5O2 421.545000 |
JMGVTFXOMRJIGP-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50649545; PubChem:CID177380046
|
Local ready
Direct docking supported
|
|
E3L065228
BDB065228
|
BDBM50649546
CNc1nc(NC2CCN(Cc3ccccc3)CC2)c2cc(OC)c(OC)cc2n1
|
C23H29N5O2 407.518000 |
ACMFIUXIFHKHME-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50649546; PubChem:CID177380047
|
Local ready
Direct docking supported
|
|
E3L065229
BDB065229
|
BDBM50649547
COc1cc2nc(N)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
|
C22H27N5O2 393.491000 |
GATJDYRSKIYBTG-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50649547; PubChem:CID177380048
|
Local ready
Direct docking supported
|
|
E3L065230
BDB065230
|
BDBM50649548
COc1cc2nc(-c3ccccc3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
|
C28H30N4O2 454.574000 |
QXQLLFWRBCINII-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50649548; PubChem:CID117094614
|
Local ready
Direct docking supported
|
|
E3L065231
BDB065231
|
BDBM50649549
COc1cc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
|
C22H26N4O2 378.476000 |
QGLMINHDDNFQAQ-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50649549; PubChem:CID2808856
|
Local ready
Direct docking supported
|
|
E3L065232
BDB065232
|
BDBM50649550
COc1cc2nc(CN)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
|
C23H29N5O2 407.518000 |
HBYBXXAIGPOFGZ-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50649550; PubChem:CID177380049
|
Local ready
Direct docking supported
|
|
E3L065233
BDB065233
|
BDBM50649551
COc1cc2nc(C#N)nc(NC3CCN(C)CC3)c2cc1OC
|
C17H21N5O2 327.388000 |
QGUHHEJDRQEANN-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50649551; PubChem:CID177380050
|
Local ready
Direct docking supported
|
|
E3L065234
BDB065234
|
BDBM50649552
COc1cc2nc(C#N)nc(N(C)C3CCN(C)CC3)c2cc1OC
|
C18H23N5O2 341.415000 |
VIHPXJVMPDXAPA-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50649552; PubChem:CID177380051
|
Local ready
Direct docking supported
|
|
E3L065235
BDB065235
|
BDBM50649553
COc1cc2nc(C#N)nc(OC3CCN(C)CC3)c2cc1OC
|
C17H20N4O3 328.372000 |
AWHKZBXZQPXJIW-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50649553; PubChem:CID177380052
|
Local ready
Direct docking supported
|
|
E3L065236
BDB065236
|
BDBM50649554
COc1cc2nc(C#N)nc(NC3CCCCC3)c2cc1OC
|
C17H20N4O2 312.373000 |
LHAMHTOIPLMKAJ-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50649554; PubChem:CID177380053
|
Local ready
Direct docking supported
|
|
E3L065237
BDB065237
|
BDBM50649555
COc1cc2nc(C#N)nc(NC3CCCC3)c2cc1OC
|
C16H18N4O2 298.346000 |
QEDNFSRSVNKNEY-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50649555; PubChem:CID177380054
|
Local ready
Direct docking supported
|
|
E3L065238
BDB065238
|
BDBM50649556
COc1cc2nc(C#N)nc(NC3CCOCC3)c2cc1OC
|
C16H18N4O3 314.345000 |
SIBIEKBNDSBXHC-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50649556; PubChem:CID177380055
|
Local ready
Direct docking supported
|
|
E3L065239
BDB065239
|
BDBM50649557
COc1cc2nc(C#N)nc(N3CCN(C)CC3)c2cc1OC
|
C16H19N5O2 313.361000 |
ONOLYLSLISVTAP-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50649557; PubChem:CID177380056
|
Local ready
Direct docking supported
|
|
E3L065240
BDB065240
|
BDBM50649558
COc1cc2nc(C#N)nc(Nc3ccc(N4CCN(C)CC4)cc3)c2cc1OC
|
C22H24N6O2 404.474000 |
VEDLMTXNDFCUFX-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50649558; PubChem:CID177380057
|
Local ready
Direct docking supported
|