| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L038301
BDB038301
|
BDBM743988
CNC(=O)COc1cc2cc(Nc3nc(N4CCN(C[C@H]5C[C@H](N6CCN(c7cccc8c7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)CC4)ncc3Cl)ccc2n(C(C)C)c1=O
|
C45H52ClN11O7 894.434000 |
SABIXZOVPMJGME-LFUVDIOQSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM743988
|
Local ready
Direct docking supported
|
|
E3L038302
BDB038302
|
US12310975, Example 538
CNC(=O)COc1cc2cc(Nc3nc(N4CCC(CN5CC(N6CCC(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)CC4)ncc3Cl)ccc2n(C(C)C)c1=O
|
C46H53ClN10O7 893.446000 |
GOYKHQXKPBGXEC-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM743989; PubChem:CID176370959
|
Local ready
Direct docking supported
|
|
E3L038303
BDB038303
|
US12310975, Example 539
CNC(=O)COc1cc2cc(Nc3nc(N4CCN(CC5CCC6(CC5)CN(c5c(F)ccc7c5C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)CC4)ncc3Cl)ccc2n(C(C)C)c1=O
|
C45H50ClFN10O7 897.409000 |
BNHWEKBGJWLLKW-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM743990; PubChem:CID176371073
|
Local ready
Direct docking supported
|
|
E3L038304
BDB038304
|
US12310975, Example 540
CNC(=O)COc1cc2cc(Nc3nc(N4CCN(CC5CCC6(CC5)CN(c5cc(F)cc7c5C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)CC4)ncc3Cl)ccc2n(C(C)C)c1=O
|
C45H50ClFN10O7 897.409000 |
KFFXKLQEGISMBN-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM743991; PubChem:CID156292537
|
Local ready
Direct docking supported
|
|
E3L038305
BDB038305
|
US12310975, Example 541
CNC(=O)COc1cc2cc(Nc3nc(N4CCN(CC5CCC6(CC5)CN(c5ccc(F)c7c5C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)CC4)ncc3Cl)ccc2n(C(C)C)c1=O
|
C45H50ClFN10O7 897.409000 |
DDJXLVOVNSAOEG-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM743992; PubChem:CID176371067
|
Local ready
Direct docking supported
|
|
E3L038306
BDB038306
|
BDBM745483
Nc1ncnc2c1ncn2Cc1cc(-c2cc(F)c(OCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2F)ncc1N1CCC[C@](N)([C@H](O)C(F)F)C1
|
C41H41F4N11O6 859.842000 |
XMTDVVZFYPARAI-ZBQXBNHNSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM745483
|
Local ready
Direct docking supported
|
|
E3L038307
BDB038307
|
BDBM745484
Nc1ncnc2c1ncn2Cc1cc(-c2cc(F)c(OCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2F)ncc1N1CCC[C@](N)([C@H](O)C(F)F)C1
|
C42H43F4N11O6 873.869000 |
CJROCMNGBXCPQI-RSDVXGCDSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM745484
|
Local ready
Direct docking supported
|
|
E3L038308
BDB038308
|
BDBM745485
Nc1ncnc2c1ncn2Cc1cc(-c2cc(F)c(OCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2F)ncc1N1CCC[C@](N)([C@H](O)C(F)F)C1
|
C43H45F4N11O6 887.896000 |
SNXGARCJGJSREV-IJYBWQORSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM745485
|
Local ready
Direct docking supported
|
|
E3L038309
BDB038309
|
BDBM745486
Nc1ncnc2c1ncn2Cc1cc(-c2cc(F)c(OCC(=O)Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2F)ncc1N1CCC[C@](N)([C@H](O)C(F)F)C1
|
C39H35F4N11O7 845.771000 |
ZHDXQKDFUFNTCY-WUGOITQHSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM745486
|
Local ready
Direct docking supported
|
|
E3L038310
BDB038310
|
BDBM745487
Nc1ncnc2c1ncn2Cc1cc(-c2cc(F)c(OCC(=O)NCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2F)ncc1N1CCC[C@](N)([C@H](O)C(F)F)C1
|
C41H40F4N12O7 888.840000 |
ZCFCOOFFAUPLJX-GKELGUGYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM745487
|
Local ready
Direct docking supported
|
|
E3L038311
BDB038311
|
BDBM745488
Nc1ncnc2c1ncn2Cc1cc(-c2cc(F)c(OCC(=O)NCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2F)ncc1N1CCC[C@](N)([C@H](O)C(F)F)C1
|
C42H42F4N12O7 902.867000 |
QSHFZCSZAFMRBA-LQCCTFLBSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM745488
|
Local ready
Direct docking supported
|
|
E3L038312
BDB038312
|
BDBM745489
Nc1ncnc2c1ncn2Cc1cc(-c2cc(F)c(OCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c(F)c2)ncc1N1CCC[C@](N)(c2ccccn2)C1
|
C44H42F2N12O5 856.895000 |
LNCVBVDBUOVQQE-CDOBHWNYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM745489
|
Local ready
Direct docking supported
|
|
E3L038313
BDB038313
|
BDBM745490
Nc1ncnc2c1ncn2Cc1cc(-c2cc(F)c(OCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c(F)c2)ncc1N1CCC[C@@](N)(c2ccccn2)C1
|
C44H42F2N12O5 856.895000 |
LNCVBVDBUOVQQE-SUESPNGSSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM745490
|
Local ready
Direct docking supported
|
|
E3L038314
BDB038314
|
BDBM745491
Nc1ncnc2c1ncn2Cc1cc(-c2cc(F)c(OCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c(F)c2)ncc1N1CCC[C@](N)(c2ccccn2)C1
|
C44H42F2N12O5 856.895000 |
LNCVBVDBUOVQQE-CDOBHWNYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM745491
|
Local ready
Direct docking supported
|
|
E3L038315
BDB038315
|
BDBM745492
Nc1ncnc2c1ncn2Cc1cc(-c2cc(F)c(OCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c(F)c2)ncc1N1CCC[C@@](N)(c2ccccn2)C1
|
C45H44F2N12O5 870.922000 |
LIGMFUAIKXOMQZ-JWERODGISA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM745492
|
Local ready
Direct docking supported
|
|
E3L038316
BDB038316
|
BDBM745493
Nc1ncnc2c1ncn2Cc1cc(-c2cc(F)c(OCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c(F)c2)ncc1N1CCC[C@](N)(c2ccccn2)C1
|
C46H46F2N12O5 884.949000 |
OEUOUFSMFNOYNL-WXNBYPKKSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM745493
|
Local ready
Direct docking supported
|
|
E3L038317
BDB038317
|
BDBM745494
COc1cc(F)c(-c2cc(Cn3cnc4c(NCCCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)ncnc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F
|
C43H45F4N11O6 887.896000 |
RKAROYNIWOCUGC-IJYBWQORSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM745494
|
Local ready
Direct docking supported
|
|
E3L038318
BDB038318
|
BDBM745495
COc1cc(F)c(-c2cc(Cn3cnc4c(NCCCCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)ncnc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F
|
C44H47F4N11O6 901.923000 |
KUXASBBVJKSINF-VAZUKEPDSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM745495
|
Local ready
Direct docking supported
|
|
E3L038319
BDB038319
|
BDBM745496
COc1c(F)cc(-c2cc(Cn3cnc4c(NCCCCCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)ncnc43)c(N3CCC[C@](N)(c4ccccn4)C3)cn2)cc1F
|
C48H50F2N12O5 913.003000 |
GVGWDQRVDXJKMY-IFGMLOPASA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM745496
|
Local ready
Direct docking supported
|
|
E3L038320
BDB038320
|
BDBM745497
COc1c(F)cc(-c2cc(Cn3cnc4c(NCCCCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)ncnc43)c(N3CCC[C@](N)(c4ccccn4)C3)cn2)cc1F
|
C47H48F2N12O5 898.976000 |
ZRUTYQLCNNKFJV-PFTIORHPSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM745497
|
Local ready
Direct docking supported
|