| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L015261
BDB015261
|
BDBM344002
OC(COCC1COc2ccccc2O1)CN1CCc2ccccc2C1
|
C21H25NO4 355.434000 |
HQPGNKIUOKFOLY-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM344002; PubChem:CID2882731
|
Local ready
Direct docking supported
|
|
E3L015262
BDB015262
|
BDBM344003
OC(COC1CCCNC1)CN1CCc2ccccc2C1
|
C17H26N2O2 290.407000 |
ZVVDRESHGLBHRK-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM344003; PubChem:CID90335202
|
Local ready
Direct docking supported
|
|
E3L015263
BDB015263
|
BDBM344004
OC(COC1CCNCC1)CN1CCc2ccccc2C1
|
C17H26N2O2 290.407000 |
CSKMLOKWKQUELH-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM344004; PubChem:CID90335180
|
Local ready
Direct docking supported
|
|
E3L015264
BDB015264
|
BDBM344005
CC(OCC(O)CN1CCc2ccccc2C1)c1cccnc1
|
C19H24N2O2 312.413000 |
KVAOYJNUAUWPPC-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM344005; PubChem:CID90335300
|
Local ready
Direct docking supported
|
|
E3L015265
BDB015265
|
BDBM344007
OC(COC1Cc2ccccc2C1)CN1CCc2ccccc2C1
|
C21H25NO2 323.436000 |
QRGYSSLCZFORLE-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM344007; PubChem:CID90335203
|
Local ready
Direct docking supported
|
|
E3L015266
BDB015266
|
BDBM344008
OC(COC1CCCC1)CN1CCc2ccccc2C1
|
C17H25NO2 275.392000 |
ZIJZTQXXJGIFDD-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM344008; PubChem:CID44117049
|
Local ready
Direct docking supported
|
|
E3L015267
BDB015267
|
BDBM344009
OC(COCC1CC1)CN1CCc2ccccc2C1
|
C16H23NO2 261.365000 |
OVKWNDBUOLGGTR-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM344009; PubChem:CID90335147
|
Local ready
Direct docking supported
|
|
E3L015268
BDB015268
|
BDBM344010
OC(COCC1CCCCO1)CN1CCc2ccccc2C1
|
C18H27NO3 305.418000 |
XOCZGQQLSMHODH-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM344010; PubChem:CID90335264
|
Local ready
Direct docking supported
|
|
E3L015269
BDB015269
|
BDBM344011
OC(COCC1CCCO1)CN1CCc2ccccc2C1
|
C17H25NO3 291.391000 |
YLEPZIUHNXJWEY-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM344011; PubChem:CID90335302
|
Local ready
Direct docking supported
|
|
E3L015270
BDB015270
|
BDBM344012
OC(COC1CCNC1)CN1CCc2ccccc2C1
|
C16H24N2O2 276.380000 |
UBMGDQVSAIGSEA-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM344012; PubChem:CID90335263
|
Local ready
Direct docking supported
|
|
E3L015271
BDB015271
|
BDBM344013
CN1CCC(OCC(O)CN2CCc3ccccc3C2)C1
|
C17H26N2O2 290.407000 |
YJAVSLJDOCDUNS-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM344013; PubChem:CID90335266
|
Local ready
Direct docking supported
|
|
E3L015272
BDB015272
|
BDBM344014
OC(COCc1ccccc1)CN1CCc2ccccc2C1
|
C19H23NO2 297.398000 |
WPJZTIVXTMTTDV-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM344014; PubChem:CID2882945
|
Local ready
Direct docking supported
|
|
E3L015273
BDB015273
|
BDBM344015
OC(COC1CCCCCC1)CN1CCc2ccccc2C1
|
C19H29NO2 303.446000 |
ANZMDOQXSOYRRI-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM344015; PubChem:CID90335311
|
Local ready
Direct docking supported
|
|
E3L015274
BDB015274
|
BDBM344016
OC(COC1CCOCC1)CN1CCc2ccccc2C1
|
C17H25NO3 291.391000 |
YLDCVARQKVOKOJ-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM344016; PubChem:CID90335183
|
Local ready
Direct docking supported
|
|
E3L015275
BDB015275
|
US9783573, Example 1
C=C(N[C@H](C(=O)C1CC(NC(=O)CCC(=O)Nc2ccc3c(c2)CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@H](C(=O)NC2CCCc4ccccc42)C3)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C)[C@H](C)NC
|
C61H85N9O7 1056.407000 |
JDWUZMFALDSKKW-NVSALGDVSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM345151; PubChem:CID138961774
|
Local ready
Direct docking supported
|
|
E3L015276
BDB015276
|
US9783573, Example 2
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccc(NC(=O)c3ccc(C(=O)NC4C[C@@H](C(=O)NC5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)cc3)cc2C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
|
C63H82N10O8 1107.411000 |
FYVIFHYMHJYDBM-WTXFRZPCSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM345152; PubChem:CID138961775
|
Local ready
Direct docking supported
|
|
E3L015277
BDB015277
|
US9783573, Example 4
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(N(C(=O)C3(C(N)=O)CC3)[C@H]3C[C@@H](C(=O)N[C@@H]4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C60H82N10O8 1071.378000 |
LGPGGDOPUHMXKG-LPWRHJBZSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM345154; PubChem:CID118497957
|
Local ready
Direct docking supported
|
|
E3L015278
BDB015278
|
US9783573, Example 5
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(N(C(=O)C3(C(N)=O)CCC3)[C@H]3C[C@@H](C(=O)N[C@@H]4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C61H84N10O8 1085.405000 |
VORKKKQKFBVOFA-PRXWBPHPSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM345155; PubChem:CID118497977
|
Local ready
Direct docking supported
|
|
E3L015279
BDB015279
|
US9783573, Example 7
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)C3CC4(C3)CC(C(=O)N[C@H]3C[C@@H](C(=O)N[C@@H]5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3)C4)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C64H88N10O8 1125.470000 |
SPBAFUFNQDTHRY-QDVJPDANSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM345157; PubChem:CID73506005
|
Local ready
Direct docking supported
|
|
E3L015280
BDB015280
|
US9783573, Example 8
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)CCc3ccc(C(=O)N[C@H]4C[C@@H](C(=O)N[C@@H]5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)cc3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C65H86N10O8 1135.465000 |
KDEVTDVUTDFKMU-YKAQSNEXSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM345158; PubChem:CID73506006
|
Local ready
Direct docking supported
|