| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L038321
BDB038321
|
BDBM745498
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-PTIAPEEWSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM745498
|
Local ready
Direct docking supported
|
|
E3L038322
BDB038322
|
BDBM745499
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:BDBM745499
|
Local ready
Direct docking supported
|
|
E3L038323
BDB038323
|
BDBM745500
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCOc2cc(F)c(-c3cc(Cn4cnc5c(N)ncnc54)c(N4CCC[C@](N)([C@H](O)C(F)F)C4)cn3)cc2F)C(C)(C)C)cc1
|
C55H68F4N12O9S 1149.283000 |
IXJQFKADTNTQRL-FDJGUIQGSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM745500
|
Local ready
Direct docking supported
|
|
E3L038324
BDB038324
|
BDBM745501
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCCOc2cc(F)c(-c3cc(Cn4cnc5c(N)ncnc54)c(N4CCC[C@](N)([C@H](O)C(F)F)C4)cn3)cc2F)C(C)(C)C)cc1
|
C58H74F4N12O6S 1143.367000 |
VOGJGTRNTHHNTA-PUFRMRCJSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM745501
|
Local ready
Direct docking supported
|
|
E3L038325
BDB038325
|
BDBM745502
NC1=NC=NC2C1N=CN2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
|
C14H22N6O5S 386.434000 |
ATXQGPCLJQVNEI-FSEIKKSYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM745502; PubChem:CID53661984
|
Local ready
Direct docking supported
|
|
E3L038326
BDB038326
|
BDBM746793
Cc1cc(CN(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C26H25FN6O 456.525000 |
FLCIOLFIDGTRCI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM746793; PubChem:CID155788096
|
Local ready
Direct docking supported
|
|
E3L038327
BDB038327
|
BDBM747335
CC(C)Nc1cc(-c2c(-c3nncn3C)cnn2C)cc(N2Cc3c(cccc3C(F)(F)F)C2=O)n1
|
C24H23F3N8O 496.497000 |
FYDCOWBEAGXTLM-UHFFFAOYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM747335; PubChem:CID167420943
|
Local ready
Direct docking supported
|
|
E3L038328
BDB038328
|
BDBM747336
Cc1conc1-c1ccccc1-c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1
|
C25H17F3N2O2 434.417000 |
FYTLIMXGCYZAQX-UHFFFAOYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM747336; PubChem:CID165411320
|
Local ready
Direct docking supported
|
|
E3L038329
BDB038329
|
BDBM747337
CCn1ccc2c(-c3ccccc3-c3nncn3C)cc(N3Cc4c(cccc4C(F)(F)F)C3=O)nc21
|
C27H21F3N6O 502.500000 |
PIHAIWOECWWHRS-UHFFFAOYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM747337; PubChem:CID165410814
|
Local ready
Direct docking supported
|
|
E3L038330
BDB038330
|
BDBM747338
CCNc1cc(-c2c(-c3nncn3C)cnn2C)cc(N2Cc3c(cccc3C(F)(F)F)C2=O)n1
|
C23H21F3N8O 482.470000 |
JODLSXXEOAFWCG-UHFFFAOYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM747338; PubChem:CID165411430
|
Local ready
Direct docking supported
|
|
E3L038331
BDB038331
|
BDBM747339
CCNc1cc(-c2ccccc2-c2nncn2C)cc(N2Cc3c(cc(CN4CC(F)C4)cc3C(F)(F)F)C2=O)n1
|
C29H27F4N7O 565.575000 |
SSQQWKRCYXQTOC-UHFFFAOYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM747339; PubChem:CID165410931
|
Local ready
Direct docking supported
|
|
E3L038332
BDB038332
|
BDBM747340
CCNc1cc(-c2ccccc2-c2nncn2C)cc(N2Cc3c(cc(CN4CCC[C@@H](C)C4)cc3C(F)(F)F)C2=O)n1
|
C32H34F3N7O 589.666000 |
FWVBZGRXCXVHGD-HXUWFJFHSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM747340; PubChem:CID165411528
|
Local ready
Direct docking supported
|
|
E3L038333
BDB038333
|
BDBM747341
CCNc1cc(-c2ccccc2-c2nncn2C)cc(N2Cc3c(cc(CN4CCOCC4)cc3C(F)(F)F)C2=O)n1
|
C30H30F3N7O2 577.611000 |
FWQBRQAAUQOPAS-UHFFFAOYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM747341; PubChem:CID165411399
|
Local ready
Direct docking supported
|
|
E3L038334
BDB038334
|
BDBM747342
CCNc1cc(-c2ccccc2-c2nncn2C)cc(N2Cc3c(cc(CN4CCO[C@H](C)C4)cc3C(F)(F)F)C2=O)n1
|
C31H32F3N7O2 591.638000 |
POYDOTGDUVXGIR-LJQANCHMSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM747342; PubChem:CID165411044
|
Local ready
Direct docking supported
|
|
E3L038335
BDB038335
|
BDBM747343
CCNc1cc(-c2ccccc2-c2nncn2C)cc(N2Cc3c(cccc3C(F)(F)F)C2=O)n1
|
C25H21F3N6O 478.478000 |
UKQMAAROMZJVOH-UHFFFAOYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM747343; PubChem:CID167421219
|
Local ready
Direct docking supported
|
|
E3L038336
BDB038336
|
BDBM747344
CCNc1cc(-c2ccc(F)cc2-c2nncn2C)cc(N2Cc3c(cccc3C(F)(F)F)C2=O)n1
|
C25H20F4N6O 496.468000 |
AGNDIMPVVBZILH-UHFFFAOYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM747344; PubChem:CID165410748
|
Local ready
Direct docking supported
|
|
E3L038337
BDB038337
|
BDBM747345
CCNc1cc(-c2ccccc2-c2nncn2C)cc(N2Cc3c(cc(CN4CCC5(CC5)C4)cc3C(F)(F)F)C2=O)n1
|
C32H32F3N7O 587.650000 |
LGHDWFGHXJJWFG-UHFFFAOYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM747345; PubChem:CID167421095
|
Local ready
Direct docking supported
|
|
E3L038338
BDB038338
|
BDBM747346
CCNc1cc(-c2ccccc2-c2nncn2C)cc(N2Cc3c(cc(CN[C@@H]4CCC[C@@H]4O)cc3C(F)(F)F)C2=O)n1
|
C31H32F3N7O2 591.638000 |
QZIRILJGKVAQDM-FTJBHMTQSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM747346; PubChem:CID165410580
|
Local ready
Direct docking supported
|
|
E3L038339
BDB038339
|
BDBM747347
CCNc1cc(-c2ccccc2-c2nncn2C)cc(N2Cc3c(cc(CN[C@H]4CCC[C@@H]4O)cc3C(F)(F)F)C2=O)n1
|
C31H32F3N7O2 591.638000 |
QZIRILJGKVAQDM-UIOOFZCWSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM747347; PubChem:CID165410600
|
Local ready
Direct docking supported
|
|
E3L038340
BDB038340
|
BDBM747348
CCNc1cc(-c2c(-c3nncn3C)cnn2C)cc(N2Cc3c(cc(C(=O)N4CC[C@@H](O)C4)cc3C(F)(F)F)C2=O)n1
|
C28H28F3N9O3 595.586000 |
RNQOTUUMPIEKII-QGZVFWFLSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM747348
|
Local ready
Direct docking supported
|