| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L025601
BDB025601
|
WO2022104345, Example S29
CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)n1cc(-c2ccc[nH]2)nn1
|
C17H24N6O3 360.418000 |
TTYOVGIPQZXTND-UGFHNGPFSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM552761; PubChem:CID163303091
|
Local ready
Direct docking supported
|
|
E3L025602
BDB025602
|
WO2022104345, Example S30
CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)n1cc(-c2ncco2)nn1
|
C16H22N6O4 362.390000 |
KGNDGBOIMKEFAS-WXHSDQCUSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM552762; PubChem:CID163302882
|
Local ready
Direct docking supported
|
|
E3L025603
BDB025603
|
WO2022104345, Example S31
CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)n1cc(-c2nccs2)nn1
|
C16H22N6O3S 378.458000 |
XYOKCPHKGSVLSS-WXHSDQCUSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM552763; PubChem:CID163302889
|
Local ready
Direct docking supported
|
|
E3L025604
BDB025604
|
WO2022104345, Example S32
CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)n1cc(-c2cnco2)nn1
|
C16H22N6O4 362.390000 |
UPBAGMWPAUBIKA-OSMZGAPFSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM552764; PubChem:CID163303030
|
Local ready
Direct docking supported
|
|
E3L025605
BDB025605
|
WO2022104345, Example S33
CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)n1cc(-c2cncs2)nn1
|
C16H22N6O3S 378.458000 |
NZISDAFCCXRENF-OSMZGAPFSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM552765; PubChem:CID163302841
|
Local ready
Direct docking supported
|
|
E3L025606
BDB025606
|
WO2022104345, Example S34
CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)n1cc(-c2ccccc2)nn1
|
C19H25N5O3 371.441000 |
SUDMCHPHEYNCPS-PVAVHDDUSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM552766; PubChem:CID163302986
|
Local ready
Direct docking supported
|
|
E3L025607
BDB025607
|
WO2022104345, Example S35
CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)n1cc(-c2ccccn2)nn1
|
C18H24N6O3 372.429000 |
MCQLPHKYPHNNQE-KCXAZCMYSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM552767; PubChem:CID163303090
|
Local ready
Direct docking supported
|
|
E3L025608
BDB025608
|
WO2022104345, Example S36
CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)n1cc(-c2cccnc2)nn1
|
C18H24N6O3 372.429000 |
HFLUMOMQFJLOKJ-KBMXLJTQSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM552768; PubChem:CID163303046
|
Local ready
Direct docking supported
|
|
E3L025609
BDB025609
|
WO2022104345, Example S37
CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)n1cc(-c2ccncc2)nn1
|
C18H24N6O3 372.429000 |
XIGGYJUFYREUCX-KBMXLJTQSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM552769; PubChem:CID163303080
|
Local ready
Direct docking supported
|
|
E3L025610
BDB025610
|
WO2022104345, Example S38
CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)n1cc(-c2ncccn2)nn1
|
C17H23N7O3 373.417000 |
RQEYCHHDLXLZQO-XBFCOCLRSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM552770; PubChem:CID163302952
|
Local ready
Direct docking supported
|
|
E3L025611
BDB025611
|
WO2022104345, Example S39
CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)n1cc(-c2cncnc2)nn1
|
C17H23N7O3 373.417000 |
LUENXMNBFLUYGC-SNPRPXQTSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM552771; PubChem:CID163302964
|
Local ready
Direct docking supported
|
|
E3L025612
BDB025612
|
WO2022104345, Example S40
CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)n1cc(-c2ccc(Cl)s2)nn1
|
C17H22ClN5O3S 411.915000 |
FYJXHUKFHAJKCG-GMXABZIVSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM552772; PubChem:CID163302918
|
Local ready
Direct docking supported
|
|
E3L025613
BDB025613
|
WO2022104345, Example S41
CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N(C)C)n1cc(C2CC2)nn1
|
C17H27N5O3 349.435000 |
IREYUUVYXTYPFM-SNPRPXQTSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM552773; PubChem:CID163303085
|
Local ready
Direct docking supported
|
|
E3L025614
BDB025614
|
US11319299, Example 1
Cc1cc(C(=O)Nc2cc(-c3cccc(CN4CCOCC4)c3)c(F)cc2N2CCN(C)CC2)cc(C)c1F
|
C31H36F2N4O2 534.651000 |
PXTYRLCEWAUNKF-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM552932; PubChem:CID137376792
|
Local ready
Direct docking supported
|
|
E3L025615
BDB025615
|
BDBM552933
CN1CCN(c2cc(F)c(-c3cccc(CN4CCOCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C29H31F4N5O3 573.591000 |
GVIBWIRSZYKTTI-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM552933; PubChem:CID138541799
|
Local ready
Direct docking supported
|
|
E3L025616
BDB025616
|
BDBM552948
CN1CCN(c2cc(F)c(-c3cnc(N4CCOCC4)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C26H27F4N7O3 561.540000 |
QNEXYXLSJZBQJZ-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM552948; PubChem:CID137377298
|
Local ready
Direct docking supported
|
|
E3L025617
BDB025617
|
BDBM552949
CN1CCN(c2cc(F)c(-c3ccc(N4CCOCC4)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C27H28F4N6O3 560.552000 |
IDXURNUKWGSUOE-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM552949; PubChem:CID138541640
|
Local ready
Direct docking supported
|
|
E3L025618
BDB025618
|
BDBM552950
CN1CCN(c2cc(F)c(-c3ccc4c(c3)OCO4)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C25H22F4N4O4 518.467000 |
WOROKLNMCVXIBS-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM552950; PubChem:CID137376965
|
Local ready
Direct docking supported
|
|
E3L025619
BDB025619
|
BDBM552951
C[C@@H]1CN(c2cc(F)c(-c3cnc(N4CCOCC4)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CCN1C
|
C27H29F4N7O3 575.567000 |
RWMJXLQEZZOCBN-MRXNPFEDSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM552951; PubChem:CID138541752
|
Local ready
Direct docking supported
|
|
E3L025620
BDB025620
|
BDBM552952
C[C@H]1CN(c2cc(F)c(-c3cnc(N4CCOCC4)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CCN1C
|
C27H29F4N7O3 575.567000 |
RWMJXLQEZZOCBN-INIZCTEOSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM552952; PubChem:CID138541704
|
Local ready
Direct docking supported
|