| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L027181
BDB027181
|
US11414402, Example 20
CN([C@@H]1CCN(C#N)C1)S(=O)(=O)c1ccc(-c2cccnc2)cc1
|
C17H18N4O2S 342.424000 |
JDHATXDEXWFBDC-MRXNPFEDSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM565106; PubChem:CID137352254
|
Local ready
Direct docking supported
|
|
E3L027182
BDB027182
|
US11414402, Example 24
Cn1nccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C#N)C2)cn1
|
C15H17N7O3S 375.414000 |
OFYYIEBCBXHERS-UHFFFAOYSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM565107; PubChem:CID137352960
|
Local ready
Direct docking supported
|
|
E3L027183
BDB027183
|
US11414402, Example 25
CN(C1CCN(C#N)C1)S(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
|
C18H17F3N4O3S 426.420000 |
YYIZEUYFMHUAQL-UHFFFAOYSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM565108; PubChem:CID137352875
|
Local ready
Direct docking supported
|
|
E3L027184
BDB027184
|
US11414402, Example 26
N#CN1CCC(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)C1
|
C17H17N3O2S 327.409000 |
QDICTGLHTPMYLM-UHFFFAOYSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM565109; PubChem:CID146592674
|
Local ready
Direct docking supported
|
|
E3L027185
BDB027185
|
US11420940, cpd (7)
NC(=O)c1cccc2c1C(=O)N(CCC1CCCc3ccccc31)C2
|
C21H22N2O2 334.419000 |
GNPXWZUQWUCREF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM566634; PubChem:CID155453284
|
Local ready
Direct docking supported
|
|
E3L027186
BDB027186
|
US11420968, Example F42
COc1ccc(-c2cc(Cn3cnc4c(N)ncnc43)c(N3CCC[C@@H](N)C3)cn2)cc1F
|
C23H25FN8O 448.506000 |
ZLEUKUNFAVEEND-MRXNPFEDSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM567676; PubChem:CID156069920
|
Local ready
Direct docking supported
|
|
E3L027187
BDB027187
|
US11420970, Example 2
Nc1ncnc2c1ncn2Cc1cc(-c2ccccc2F)ncc1N1CC[C@@H](F)[C@@H](N)C1
|
C22H22F2N8 436.470000 |
PPPTUZCFYQZPAA-SJORKVTESA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM567698; PubChem:CID156073375
|
Local ready
Direct docking supported
|
|
E3L027188
BDB027188
|
US11420970, Example 3
Nc1ncnc2c1ncn2Cc1cc(-c2ccc(F)c(F)c2)ncc1N1CC[C@@H](O)[C@@H](N)C1
|
C22H22F2N8O 452.469000 |
SDOULUFYACXQCQ-QFBILLFUSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM567726; PubChem:CID156073374
|
Local ready
Direct docking supported
|
|
E3L027189
BDB027189
|
US11420970, Example 4
Nc1ncnc2c1ncn2Cc1cc(-c2cccc(F)c2)ncc1N1CCC[C@@H](N)C1
|
C22H23FN8 418.480000 |
HPOZUUJZGFELQR-QGZVFWFLSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM567797; PubChem:CID156073372
|
Local ready
Direct docking supported
|
|
E3L027190
BDB027190
|
US11420970, Example 5
COc1ccc(-c2cc(Cn3cnc4c(N)ncnc43)c(N3CC[C@@H](F)[C@@H](N)C3)cn2)cc1F
|
C23H24F2N8O 466.496000 |
BGBYHOXCWHOMOH-WBVHZDCISA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM567803; PubChem:CID156073373
|
Local ready
Direct docking supported
|
|
E3L027191
BDB027191
|
US11420970, Example 6
COc1ccc(-c2cc(Cn3cnc4c(N)ncnc43)c(N3CCC[C@@H](N)C3)cn2)c(F)c1
|
C23H25FN8O 448.506000 |
GVRCWKKEZZEBSP-OAHLLOKOSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM567805; PubChem:CID156073222
|
Local ready
Direct docking supported
|
|
E3L027192
BDB027192
|
US11420970, Example 7
N#Cc1ccc(-c2cc(Cn3cnc4c(N)ncnc43)c(N3CCC[C@@H](N)C3)cn2)cc1Cl
|
C23H22ClN9 459.945000 |
GUGBRFFXRZXKLE-QGZVFWFLSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM567806; PubChem:CID156073223
|
Local ready
Direct docking supported
|
|
E3L027193
BDB027193
|
US11420970, Example 8
Nc1ncnc2c1ncn2Cc1cc(-c2cccc(F)c2)ncc1N1CC[C@@H](F)[C@@H](N)C1
|
C22H22F2N8 436.470000 |
OLWKBJRPOAXWGL-SJORKVTESA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM567807; PubChem:CID156073224
|
Local ready
Direct docking supported
|
|
E3L027194
BDB027194
|
US11420970, Example 9
COC[C@@H]1[C@H](N)CCCN1c1cnc(-c2ccc(C#N)c(F)c2)cc1Cn1cnc2c(N)ncnc21
|
C25H26FN9O 487.543000 |
REWHBVQNBKNCML-DENIHFKCSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM567808; PubChem:CID156073225
|
Local ready
Direct docking supported
|
|
E3L027195
BDB027195
|
US11420970, Example 10
COc1ccc(-c2cc(Cn3cnc4c(N)ncnc43)c(N3CC[C@@H](F)[C@@H](N)C3)cn2)c(F)c1
|
C23H24F2N8O 466.496000 |
ULANVIZOHQFQEQ-AEFFLSMTSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM567809; PubChem:CID156073226
|
Local ready
Direct docking supported
|
|
E3L027196
BDB027196
|
US11420970, Example 11
COc1ccc(-c2cc(Cn3cnc4c(N)ncnc43)c(N3CCC[C@@H](N)C3)cn2)cc1
|
C23H26N8O 430.516000 |
JIIGABITHAISCG-QGZVFWFLSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM567810; PubChem:CID156073290
|
Local ready
Direct docking supported
|
|
E3L027197
BDB027197
|
US11420970, Example 12
Nc1ncnc2c1ncn2Cc1cc(-c2cccc(Cl)c2)ncc1N1CC[C@@H](F)[C@@H](N)C1
|
C22H22ClFN8 452.925000 |
HHSSRPXFWNXMIH-SJORKVTESA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM567811; PubChem:CID156073288
|
Local ready
Direct docking supported
|
|
E3L027198
BDB027198
|
US11420970, Example 13
N#Cc1ccc(-c2cc(Cn3cnc4c(N)ncnc43)c(N3CC[C@@H](F)[C@@H](N)C3)cn2)cc1F
|
C23H21F2N9 461.480000 |
CIQLPQNDCXISFS-AEFFLSMTSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM567812; PubChem:CID156073289
|
Local ready
Direct docking supported
|
|
E3L027199
BDB027199
|
US11420970, Example 14
Nc1ncnc2c1ncn2Cc1cc(-c2ccc3c(c2)CCO3)ncc1N1CC[C@@H](F)[C@@H](N)C1
|
C24H25FN8O 460.517000 |
QGQFOBITCVJAHP-MSOLQXFVSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM567813; PubChem:CID156073293
|
Local ready
Direct docking supported
|
|
E3L027200
BDB027200
|
US11420970, Example 15
COc1ccc(-c2cc(Cn3cnc4c(N)ncnc43)c(N3CCC(OC)C(N)C3)cn2)cc1F
|
C24H27FN8O2 478.532000 |
WVDLHKVHWZHAQI-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM567814; PubChem:CID156073294
|
Local ready
Direct docking supported
|