| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063361
BDB063361
|
Benzo[4,5]thiazolo[2,3-c][1,2,4]triazol-7-ol
Oc1ccc2c(c1)sc1nncn12
|
C8H5N3OS 191.215000 |
IWIXTZQBCXYDRG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50616430; PubChem:CID33702003
|
Local ready
Direct docking supported
|
|
E3L063362
BDB063362
|
7-Methyl[1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-amine
Cc1ccc2c(c1)sc1nnc(N)n12
|
C9H8N4S 204.258000 |
ZKXNKMALIYTLJE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50616435; PubChem:CID2771038
|
Local ready
Direct docking supported
|
|
E3L063363
BDB063363
|
BDBM50616441
COc1ccc(OC)c2c1sc1nnc(N)n12
|
C10H10N4O2S 250.283000 |
FSNNMBVVDWKKCB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50616441; PubChem:CID2771058
|
Local ready
Direct docking supported
|
|
E3L063364
BDB063364
|
BDBM50616723
O=C1C(NC2CCc3ccccc32)=C(Cl)C(=O)c2ncccc21
|
C18H13ClN2O2 324.767000 |
BIXZPCJMZXGTTI-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50616723; PubChem:CID172454975
|
Local ready
Direct docking supported
|
|
E3L063365
BDB063365
|
BDBM50616724
O=C1C(NCCc2c[nH]c3ccccc23)=C(Cl)C(=O)c2ncccc21
|
C19H14ClN3O2 351.793000 |
RMLBSODULWIGPL-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50616724; PubChem:CID172461207
|
Local ready
Direct docking supported
|
|
E3L063366
BDB063366
|
BDBM50616725
CC(C)(O)[C@H](F)CNC1=C(Cl)C(=O)c2cccnc2C1=O
|
C14H14ClFN2O3 312.728000 |
DXEREVPJYMFRDY-MRVPVSSYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50616725; PubChem:CID172461609
|
Local ready
Direct docking supported
|
|
E3L063367
BDB063367
|
BDBM50616726
CC(C)(O)[C@H](F)CNC1=C(Cl)C(=O)c2ncccc2C1=O
|
C14H14ClFN2O3 312.728000 |
NWYYBIFVYPZFMV-MRVPVSSYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50616726; PubChem:CID172439169
|
Local ready
Direct docking supported
|
|
E3L063368
BDB063368
|
BDBM50616727
CC(C)(O)[C@H](F)CNC1=C(Cl)C(=O)c2ccc(Cl)nc2C1=O
|
C14H13Cl2FN2O3 347.173000 |
SVKJKHAFGGSNKI-SSDOTTSWSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50616727; PubChem:CID172450195
|
Local ready
Direct docking supported
|
|
E3L063369
BDB063369
|
BDBM50616728
CC(C)(O)[C@H](F)CNC1=C(Cl)C(=O)c2ccc(N3CCCC3)nc2C1=O
|
C18H21ClFN3O3 381.835000 |
JTXVYBWOFHGJHI-LLVKDONJSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50616728; PubChem:CID172458826
|
Local ready
Direct docking supported
|
|
E3L063370
BDB063370
|
BDBM50616729
CC(C)(O)[C@H](F)CNC1=C(Cl)C(=O)c2ccc(N3CCC(F)(F)C3)nc2C1=O
|
C18H19ClF3N3O3 417.815000 |
WTNXGPFUKLSEJW-SNVBAGLBSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50616729; PubChem:CID172442044
|
Local ready
Direct docking supported
|
|
E3L063371
BDB063371
|
BDBM50616730
CC(C)(O)[C@H](F)CNC1=C(Cl)C(=O)c2ccc(N3C[C@@H](O)[C@H](O)C3)nc2C1=O
|
C18H21ClFN3O5 413.833000 |
DXACPKKTRNCLLA-GMTAPVOTSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50616730; PubChem:CID172448490
|
Local ready
Direct docking supported
|
|
E3L063372
BDB063372
|
BDBM50616731
CC(C)(O)[C@H](F)CNC1=C(Cl)C(=O)c2ccc(N3CC(O)C3)nc2C1=O
|
C17H19ClFN3O4 383.807000 |
VXVQPLKHIPONBS-SNVBAGLBSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50616731; PubChem:CID172443756
|
Local ready
Direct docking supported
|
|
E3L063373
BDB063373
|
BDBM50616732
CC#CC(=O)NC12CC(NC3=C(Cl)C(=O)c4cccnc4C3=O)(C1)C2
|
C18H14ClN3O3 355.781000 |
UYIRPHWBVZGXIA-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50616732; PubChem:CID172451277
|
Local ready
Direct docking supported
|
|
E3L063374
BDB063374
|
Nsd2-IN-4
CC#CC(=O)NC12CC(NC3=C(Cl)C(=O)c4ncccc4C3=O)(C1)C2
|
C18H14ClN3O3 355.781000 |
XLARJZRINWFNRT-UHFFFAOYSA-N | O14686, O96028, Q03164, Q96L73, Q9BZ95 | Histone-lysine N-methyltransferase NSD2, Histone-lysine N-methyltransferase 2D, Histone-lysine N-methyltransferase 2A, Histone-lysine N-methyltransferase NSD3, Histone-lysine N-methyltransferase, H3 lysine-36 specific |
BindingDB, PubChem
BindingDB:BDBM50616733; PubChem:CID167993637
|
Local ready
Direct docking supported
|
|
E3L063375
BDB063375
|
BDBM50616734
O=C1C(Cl)=C(NC23CC(NC(=O)C4CC4(F)F)(C2)C3)C(=O)c2ncccc21
|
C18H14ClF2N3O3 393.777000 |
UJKOPNAULYODRU-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50616734; PubChem:CID172467432
|
Local ready
Direct docking supported
|
|
E3L063376
BDB063376
|
BDBM50616735
O=C1C(NC23CC(NC(=O)C4CC4(F)F)(C2)C3)=C(Cl)C(=O)c2ncccc21
|
C18H14ClF2N3O3 393.777000 |
GIQIFTBQCOEECI-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50616735; PubChem:CID172450121
|
Local ready
Direct docking supported
|
|
E3L063377
BDB063377
|
BDBM50616736
CC(F)(F)C(=O)NC12CC(NC3=C(Cl)C(=O)c4cccnc4C3=O)(C1)C2
|
C17H14ClF2N3O3 381.766000 |
WAMZKBAOGFIKSS-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50616736; PubChem:CID172439258
|
Local ready
Direct docking supported
|
|
E3L063378
BDB063378
|
BDBM50616737
CC(F)(F)C(=O)NC12CC(NC3=C(Cl)C(=O)c4ncccc4C3=O)(C1)C2
|
C17H14ClF2N3O3 381.766000 |
PZGWULNYSQCJQJ-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50616737; PubChem:CID172457290
|
Local ready
Direct docking supported
|
|
E3L063379
BDB063379
|
BDBM50616738
C[C@@](O)(C(=O)NC12CC(NC3=C(Cl)C(=O)c4cccnc4C3=O)(C1)C2)C(F)(F)F
|
C18H15ClF3N3O4 429.782000 |
WKHWLIIGJCKEDM-KLAILNCOSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50616738; PubChem:CID172471319
|
Local ready
Direct docking supported
|
|
E3L063380
BDB063380
|
BDBM50616739
C[C@@](O)(C(=O)NC12CC(NC3=CC(=O)c4ncccc4C3=O)(C1)C2)C(F)(F)F
|
C18H16F3N3O4 395.337000 |
SRYBOQXSPQGCML-KLAILNCOSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50616739; PubChem:CID172448765
|
Local ready
Direct docking supported
|