| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L036081
BDB036081
|
US20250073340, Example 50
COc1cc(C(=O)N[C@@H]2CCCN(CC#Cc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)C2)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C52H54Cl2FN7O6 962.951000 |
VVYBZQKIOPKPSI-HFZSCNJRSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM725198; PubChem:CID164591951
|
Local ready
Direct docking supported
|
|
E3L036082
BDB036082
|
US20250073340, Example 51
COc1cc(C(=O)N2CCN(CC#Cc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)CC2)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C51H52Cl2FN7O6 948.924000 |
GKGOMOOXBDJKRR-JRDHYNAESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM725199; PubChem:CID164591918
|
Local ready
Direct docking supported
|
|
E3L036083
BDB036083
|
US20250073340, Example 52
COc1cc(C(=O)N[C@H]2CCCN(CC#Cc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)C2)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C52H54Cl2FN7O6 962.951000 |
VVYBZQKIOPKPSI-SEWIRMETSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM725200; PubChem:CID164591868
|
Local ready
Direct docking supported
|
|
E3L036084
BDB036084
|
US20250073340, Example 56
COc1cc(C(=O)N2CCC3(CC2)C[C@@H]3C#Cc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(C(F)(F)F)ncc32)[C@H]1c1cccc(Cl)c1F
|
C53H52ClF4N7O6 994.487000 |
ATUTWMIBPYSOCC-QEJSDOCLSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM725201; PubChem:CID164591834
|
Local ready
Direct docking supported
|
|
E3L036085
BDB036085
|
US20250073340, Example 58
COc1cc(C(=O)N2CCC3(CC2)C[C@@H]3C#Cc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C53H53Cl2FN6O6 959.947000 |
OAFXZDOTHLLNQB-YTLRALJPSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM725202; PubChem:CID164591889
|
Local ready
Direct docking supported
|
|
E3L036086
BDB036086
|
WO2017214367, Example 64
CC(C)c1ncncc1-c1cc(F)ccc1Oc1cncnc1N1CC2(CN(CC3CCC4(CC3)OCCO4)C2)C1
|
C31H37FN6O3 560.674000 |
PFXYDBYVJDWJFS-UHFFFAOYSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM725692; PubChem:CID132212720
|
Local ready
Direct docking supported
|
|
E3L036087
BDB036087
|
BDBM725693
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CCC(=O)N4)CC3)CC2)C1)C(C)C
|
C33H45FN6O3 592.760000 |
WVJIDSZQVNZMDQ-KFUJTCAESA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725693
|
Local ready
Direct docking supported
|
|
E3L036088
BDB036088
|
US20250074910, Example 3
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(CC3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C
|
C36H48FN5O3 617.810000 |
AJJCPMFCGDDIHE-UHFFFAOYSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM725694; PubChem:CID176456268
|
Local ready
Direct docking supported
|
|
E3L036089
BDB036089
|
US20250074910, Example 3-1
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C
|
C36H48FN5O3 617.810000 |
AJJCPMFCGDDIHE-TZNMGBFISA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM725695; PubChem:CID176456269
|
Local ready
Direct docking supported
|
|
E3L036090
BDB036090
|
US20250074910, Example 3-2
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C
|
C36H48FN5O3 617.810000 |
AJJCPMFCGDDIHE-AIXKKLOWSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM725696; PubChem:CID176456270
|
Local ready
Direct docking supported
|
|
E3L036091
BDB036091
|
US20250074910, Example 3
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(CC3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C
|
C36H48FN5O3 617.810000 |
AJJCPMFCGDDIHE-UHFFFAOYSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM725697; PubChem:CID176456268
|
Local ready
Direct docking supported
|
|
E3L036092
BDB036092
|
US20250074910, Example 3-1
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C
|
C36H48FN5O3 617.810000 |
AJJCPMFCGDDIHE-TZNMGBFISA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM725698; PubChem:CID176456269
|
Local ready
Direct docking supported
|
|
E3L036093
BDB036093
|
US20250074910, Example 3-2
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C
|
C36H48FN5O3 617.810000 |
AJJCPMFCGDDIHE-AIXKKLOWSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM725699; PubChem:CID176456270
|
Local ready
Direct docking supported
|
|
E3L036094
BDB036094
|
US20250074910, Example 3
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(CC3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C
|
C36H48FN5O3 617.810000 |
AJJCPMFCGDDIHE-UHFFFAOYSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM725700; PubChem:CID176456268
|
Local ready
Direct docking supported
|
|
E3L036095
BDB036095
|
BDBM725701
CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CCC(=O)N4)CC3)CC2)C1)C(C)C
|
C32H44FN7O3 593.748000 |
AUDXQAHMNARUAA-FVQXVRMNSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725701
|
Local ready
Direct docking supported
|
|
E3L036096
BDB036096
|
BDBM725702
CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CCC(=O)C4)CC3)CC2)C1)C(C)C
|
C34H47FN6O3 606.787000 |
ZYYSPKAHPAXVSG-PIPLUPRYSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725702
|
Local ready
Direct docking supported
|
|
E3L036097
BDB036097
|
BDBM725703
CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CCC(=O)C4)CC3)CC2)C1)C1CC1
|
C34H45FN6O3 604.771000 |
OOFPFUFMRJLBPS-KFUJTCAESA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725703
|
Local ready
Direct docking supported
|
|
E3L036098
BDB036098
|
US20250074910, Example 13-1
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C
|
C37H50FN5O3 631.837000 |
FMUNKTNFINIVHW-WHBSMULTSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM725704; PubChem:CID176456273
|
Local ready
Direct docking supported
|
|
E3L036099
BDB036099
|
US20250074910, Example 13-2
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C
|
C37H50FN5O3 631.837000 |
FMUNKTNFINIVHW-YRTBUHGYSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM725705; PubChem:CID176456274
|
Local ready
Direct docking supported
|
|
E3L036100
BDB036100
|
US20250074910, Example 13-1a
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC4CC[C@H]3CC43CCC(=O)C3)CC2)C1)C(C)C
|
C37H50FN5O3 631.837000 |
FMUNKTNFINIVHW-IJRINXMVSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM725706; PubChem:CID176456275
|
Local ready
Direct docking supported
|