| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L025621
BDB025621
|
BDBM552953
C[C@@H]1CN(c2cc(F)c(-c3cnc(N4CCOCC4)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C28H31F4N7O3 589.594000 |
CMLDSGMHBCTTQH-CALCHBBNSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM552953; PubChem:CID138542049
|
Local ready
Direct docking supported
|
|
E3L025622
BDB025622
|
BDBM552954
CN1CCN(c2cc(F)c(-c3cnc(N4CCCC4)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C26H27F4N7O2 545.541000 |
HUCHWMVKXDSHCR-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM552954; PubChem:CID138541705
|
Local ready
Direct docking supported
|
|
E3L025623
BDB025623
|
BDBM552955
CN1CCN(c2cc(F)c(-c3cnc(NC4CC4)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C25H25F4N7O2 531.514000 |
XHGDUSOCGSBMTC-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM552955; PubChem:CID137376950
|
Local ready
Direct docking supported
|
|
E3L025624
BDB025624
|
BDBM552956
CN1CCN(c2cc(F)c(-c3cnc(NC4CCCCC4)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C28H31F4N7O2 573.595000 |
RRQBQDOLKJVCNU-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM552956; PubChem:CID137376870
|
Local ready
Direct docking supported
|
|
E3L025625
BDB025625
|
BDBM552957
CCOc1ncc(-c2cc(NC(=O)c3c[nH]c(=O)cc3C(F)(F)F)c(N3CCN(C)CC3)cc2F)cn1
|
C24H24F4N6O3 520.487000 |
OFLSDQKDUXBXCT-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM552957; PubChem:CID137376975
|
Local ready
Direct docking supported
|
|
E3L025626
BDB025626
|
BDBM552958
Cc1ncc(-c2cc(NC(=O)c3c[nH]c(=O)cc3C(F)(F)F)c(N3CCN(C)CC3)cc2F)cn1
|
C23H22F4N6O2 490.461000 |
MONYSZXYDXDGEK-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM552958; PubChem:CID137376992
|
Local ready
Direct docking supported
|
|
E3L025627
BDB025627
|
BDBM552959
CN1CCN(c2cc(F)c(-c3ccc(NC4CCCCC4)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C29H32F4N6O2 572.607000 |
KCOMOZYHSDZIRW-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM552959; PubChem:CID137377503
|
Local ready
Direct docking supported
|
|
E3L025628
BDB025628
|
BDBM552960
CN1CCN(c2cc(F)c(-c3cnc(O)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C22H20F4N6O3 492.433000 |
XXSLMFWASLUDIS-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM552960; PubChem:CID137376787
|
Local ready
Direct docking supported
|
|
E3L025629
BDB025629
|
US11319287, Example 16
N#CN1CCC[C@H]1C(=O)N1CCc2cc(-c3ccno3)ccc21
|
C17H16N4O2 308.341000 |
ZJKVBBCHWJGSFD-HNNXBMFYSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM552961; PubChem:CID164607817
|
Local ready
Direct docking supported
|
|
E3L025630
BDB025630
|
BDBM552962
CN1CCN(c2cc(F)c(-c3cnc(C#N)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C23H19F4N7O2 501.444000 |
CDBKROHOJVKZNJ-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM552962; PubChem:CID137377210
|
Local ready
Direct docking supported
|
|
E3L025631
BDB025631
|
BDBM552963
CN1CCN(c2cc(F)c(-c3cnc(OCC(F)(F)F)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C24H21F7N6O3 574.457000 |
YIGUOFOBBBPQLX-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM552963; PubChem:CID137377288
|
Local ready
Direct docking supported
|
|
E3L025632
BDB025632
|
BDBM552964
CN1CCN(c2cc(F)c(-c3cncnc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C22H20F4N6O2 476.434000 |
QGDHQOJSPUAKSA-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM552964; PubChem:CID137376966
|
Local ready
Direct docking supported
|
|
E3L025633
BDB025633
|
BDBM552965
COc1ncc(-c2cc(NC(=O)c3c[nH]c(=O)cc3C(F)(F)F)c(N3CCN(C)CC3)cc2F)c(OC)n1
|
C24H24F4N6O4 536.486000 |
NXSYJUANRFWWGT-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM552965; PubChem:CID137377663
|
Local ready
Direct docking supported
|
|
E3L025634
BDB025634
|
BDBM552966
CN1CCN(c2cc(F)c(-c3cnc(N4CCOCC4)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)F)CC1
|
C26H28F3N7O3 543.550000 |
UJCBRBGSYIDHKB-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM552966; PubChem:CID137377081
|
Local ready
Direct docking supported
|
|
E3L025635
BDB025635
|
BDBM552967
CN(C)C1CCN(c2cc(F)c(-c3cnc(N4CCOCC4)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C1
|
C27H29F4N7O3 575.567000 |
ZIWKHOHCZXDNQD-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM552967; PubChem:CID137377683
|
Local ready
Direct docking supported
|
|
E3L025636
BDB025636
|
BDBM552968
CN1CCN(c2cc(F)c(C3=CCOCC3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C23H24F4N4O3 480.462000 |
MCKHRDBCHQEZEN-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM552968; PubChem:CID137377127
|
Local ready
Direct docking supported
|
|
E3L025637
BDB025637
|
BDBM552969
CN1CCN(c2cc(F)c(C3=CCNCC3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C23H25F4N5O2 479.478000 |
LBCCPUPFKKIKMY-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM552969; PubChem:CID137377091
|
Local ready
Direct docking supported
|
|
E3L025638
BDB025638
|
BDBM552970
CN1CCN(c2cc(F)ccc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C18H18F4N4O2 398.360000 |
LWTXKPMUOFWYDS-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM552970; PubChem:CID137377213
|
Local ready
Direct docking supported
|
|
E3L025639
BDB025639
|
US11319299, Example 25
Cc1cc(C(=O)Nc2cc(-c3cnc(N4CCOCC4)nc3)c(F)cc2N2C[C@@H](C)N(C)[C@@H](C)C2)ccc1F
|
C29H34F2N6O2 536.627000 |
CRLXCSCPDXUEGK-BGYRXZFFSA-N | P61964, Q03164, Q15291, Q969U6 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM552971; PubChem:CID137376879
|
Local ready
Direct docking supported
|
|
E3L025640
BDB025640
|
BDBM552972
C[C@@H]1CN(c2cc(F)ccc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C20H22F4N4O2 426.414000 |
MSVVEQMGBXUFDN-TXEJJXNPSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM552972; PubChem:CID138542230
|
Local ready
Direct docking supported
|