| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L037901
BDB037901
|
BDBM743421
COc1cc(F)c(-c2cc(CN3CCNC3=O)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F
|
C23H27F4N5O3 497.493000 |
APXOXVZWELSFCA-NFBKMPQASA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM743421; PubChem:CID176734171
|
Local ready
Direct docking supported
|
|
E3L037902
BDB037902
|
BDBM743422
COc1cc(F)c(-c2cc(Cn3ccc4cnccc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F
|
C27H27F4N5O2 529.538000 |
COYFUVGEEAWZMU-XNMGPUDCSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM743422; PubChem:CID176734172
|
Local ready
Direct docking supported
|
|
E3L037903
BDB037903
|
BDBM743423
COc1cc(F)c(-c2cc(CN3NCc4cnc(N)nc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F
|
C25H28F4N8O2 548.545000 |
YYYDXLMJUAWXJA-PXDATVDWSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM743423
|
Local ready
Direct docking supported
|
|
E3L037904
BDB037904
|
BDBM743424
COc1cc(F)c(-c2cc(Cn3cnc(N)c4ncnc3-4)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F
|
C25H26F4N8O2 546.529000 |
QDGBKRQVILFIMG-PXDATVDWSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM743424
|
Local ready
Direct docking supported
|
|
E3L037905
BDB037905
|
BDBM743425
COc1cc(F)c(-c2cc(CNc3cc4[nH]ccc4cn3)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F
|
C27H28F4N6O2 544.553000 |
BUOSNWBDOAALLP-XNMGPUDCSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM743425; PubChem:CID176734175
|
Local ready
Direct docking supported
|
|
E3L037906
BDB037906
|
BDBM743426
COc1cc(F)c(-c2cc(Cn3cnnn3)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F
|
C21H23F4N7O2 481.454000 |
PCKBRULSWIRGPV-TZIWHRDSSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM743426; PubChem:CID176734176
|
Local ready
Direct docking supported
|
|
E3L037907
BDB037907
|
BDBM743427
COc1cc(F)c(-c2cc(Cn3cnnc3)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F
|
C22H24F4N6O2 480.466000 |
WTIKZOPVFPGLMR-IFMALSPDSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM743427; PubChem:CID176734177
|
Local ready
Direct docking supported
|
|
E3L037908
BDB037908
|
BDBM743428
CN(C)C(=O)c1sc2ccccc2c1C(=O)N1CC2(C1)C(=O)NCN2C
|
C18H20N4O3S 372.450000 |
OOAZMHNTMUXZHD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM743428; PubChem:CID170051147
|
Local ready
Direct docking supported
|
|
E3L037909
BDB037909
|
BDBM743429
CN(C)C(=O)c1c(C(=O)N2CC3(CC(=O)NC3=O)C2)sc2ccccc12
|
C18H17N3O4S 371.418000 |
GGXQIBKADMRLQT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM743429; PubChem:CID176734178
|
Local ready
Direct docking supported
|
|
E3L037910
BDB037910
|
BDBM743430
CN(C)C(=O)c1[nH]c2ccccc2c1C(=O)N1CC2(CC(=O)NC2=O)C1
|
C18H18N4O4 354.366000 |
FVQAVWLRRBVEAZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM743430; PubChem:CID176734179
|
Local ready
Direct docking supported
|
|
E3L037911
BDB037911
|
BDBM743431
CN(C)C(=O)c1ccc(C(=O)N2CC3(CC(=O)NC3=O)C2)cc1
|
C16H17N3O4 315.329000 |
KDIZVKJVPQPSRR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM743431; PubChem:CID176734180
|
Local ready
Direct docking supported
|
|
E3L037912
BDB037912
|
BDBM743432
CN(C)C(=O)c1cccc(C(=O)N2CC3(CC(=O)NC3=O)C2)c1
|
C16H17N3O4 315.329000 |
LBAIOZPUQCTOGL-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM743432; PubChem:CID176734181
|
Local ready
Direct docking supported
|
|
E3L037913
BDB037913
|
BDBM743433
CN(C)C(=O)c1cscc1C(=O)N1CC2(CC(=O)NC2=O)C1
|
C14H15N3O4S 321.358000 |
FCEIFCKYUPUEFN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM743433; PubChem:CID176734182
|
Local ready
Direct docking supported
|
|
E3L037914
BDB037914
|
BDBM743434
O=C1CC2(CN(C(=O)c3c(C(=O)NC4CCCCC4)sc4ccccc34)C2)C(=O)N1
|
C22H23N3O4S 425.510000 |
NMQSVUGQIYBCCM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM743434; PubChem:CID176734183
|
Local ready
Direct docking supported
|
|
E3L037915
BDB037915
|
BDBM743435
O=C1CC2(CN(C(=O)c3c(C(=O)N4CCNCC4)sc4ccccc34)C2)C(=O)N1
|
C20H20N4O4S 412.471000 |
OXBDDMWXWRTYKQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM743435; PubChem:CID176734184
|
Local ready
Direct docking supported
|
|
E3L037916
BDB037916
|
BDBM743439
O=C1CC2(CN(C(=O)c3c(C(=O)N4CC5(COC5)C4)sc4ccccc34)C2)C(=O)N1
|
C21H19N3O5S 425.466000 |
KPSIIFSIKMOCEH-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM743439; PubChem:CID176734186
|
Local ready
Direct docking supported
|
|
E3L037917
BDB037917
|
BDBM743440
NC(=O)c1sc2ccccc2c1C(=O)N1CC2(CC(=O)NC2=O)C1
|
C16H13N3O4S 343.364000 |
BRPRZNMXBNJBAI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM743440; PubChem:CID176734187
|
Local ready
Direct docking supported
|
|
E3L037918
BDB037918
|
BDBM743444
CC(=O)N1CCN(C(=O)c2sc3ccccc3c2C(=O)N2CC3(CC(=O)NC3=O)C2)CC1
|
C22H22N4O5S 454.508000 |
NSLLAMOCGFKSDX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM743444; PubChem:CID176734188
|
Local ready
Direct docking supported
|
|
E3L037919
BDB037919
|
BDBM743445
O=C1CC2(CN(C(=O)c3cc4ccccc4s3)C2)C(=O)N1
|
C15H12N2O3S 300.339000 |
ZTCOWAFGFBVCNU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM743445; PubChem:CID176734189
|
Local ready
Direct docking supported
|
|
E3L037920
BDB037920
|
BDBM743447
O=C1CC2(CN(C(=O)c3csc4ccccc34)C2)C(=O)N1
|
C15H12N2O3S 300.339000 |
VMUISOAFVUYDCT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM743447; PubChem:CID176734190
|
Local ready
Direct docking supported
|