| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L022541
BDB022541
|
US11174250, Example 57
COc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN4CCC(S(C)(=O)=O)C4)ccc3F)ccc2N2CCN(C)CC2)cn1
|
C31H35F4N5O4S 649.711000 |
RZQVYLYINRBCQA-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525639; PubChem:CID138558101
|
Local ready
Direct docking supported
|
|
E3L022542
BDB022542
|
US11174250, Example 58
COc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN(C)[C@H]4CCOC4)ccc3F)ccc2N2CCN(C)CC2)cn1
|
C31H35F4N5O3 601.645000 |
QHDOOYLHJSZHCX-QFIPXVFZSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525640; PubChem:CID137376440
|
Local ready
Direct docking supported
|
|
E3L022543
BDB022543
|
US11174250, Example 59
COc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN4CCOC(C)(C)C4)ccc3F)ccc2N2CCN(C)CC2)cn1
|
C32H37F4N5O3 615.672000 |
BJMLVUKERJEGKD-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525641; PubChem:CID137376366
|
Local ready
Direct docking supported
|
|
E3L022544
BDB022544
|
BDBM525642
C[C@@H]1CN(c2ccc(-c3cc(CN4CCOCC4)cnc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C30H34F4N6O3 602.633000 |
SQPSBDQTEBAIRJ-KDURUIRLSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525642; PubChem:CID137376597
|
Local ready
Direct docking supported
|
|
E3L022545
BDB022545
|
BDBM525643
CN1CCN(c2ccc(-c3cc(CN4CCOCC4)cnc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C28H30F4N6O3 574.579000 |
FZVHYHVJNVOCCK-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525643; PubChem:CID138558090
|
Local ready
Direct docking supported
|
|
E3L022546
BDB022546
|
BDBM525644
CCN1CCN(c2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C30H33F4N5O3 587.618000 |
BEWURZMFMJZRIA-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525644; PubChem:CID138558087
|
Local ready
Direct docking supported
|
|
E3L022547
BDB022547
|
BDBM525645
CCN1CCN(c2ccc(-c3cc(CNC4CCCCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C32H37F4N5O2 599.673000 |
CGMHUMFZWIFNAO-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525645; PubChem:CID137376589
|
Local ready
Direct docking supported
|
|
E3L022548
BDB022548
|
US11174250, Example 64
CN1CCN(c2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1COC(=O)C(C)(C)C
|
C35H41F4N5O5 687.735000 |
CTHNPKBDPXKWJP-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525646; PubChem:CID138558072
|
Local ready
Direct docking supported
|
|
E3L022549
BDB022549
|
BDBM525647
CN1CCN(c2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1CO
|
C30H33F4N5O4 603.617000 |
DGQPJSOBUCRUMC-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525647; PubChem:CID137376615
|
Local ready
Direct docking supported
|
|
E3L022550
BDB022550
|
BDBM525648
CN1CCN(c2ccc(-c3cc(CN4CCN(CC5CC5)CC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C33H38F4N6O2 626.699000 |
UCIMUGNNMDZMDT-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525648; PubChem:CID137376339
|
Local ready
Direct docking supported
|
|
E3L022551
BDB022551
|
BDBM525649
CN1CCN(c2ccc(-c3cc(CN(C)C4CCCCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C32H37F4N5O2 599.673000 |
KZGBALJQZBEHNW-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525649; PubChem:CID137376725
|
Local ready
Direct docking supported
|
|
E3L022552
BDB022552
|
BDBM525650
CN1CCN(c2ccc(-c3cc(CN4CCN(Cc5ccc(F)cc5)CC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C36H37F5N6O2 680.722000 |
MSVYPKVNSDNBMD-UHFFFAOYSA-N | P61964, Q03164, Q15291 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM525650; PubChem:CID137376585
|
Local ready
Direct docking supported
|
|
E3L022553
BDB022553
|
BDBM525651
CN1CCN(c2ccc(-c3cc(CN4CC[C@@H](O)C4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C29H31F4N5O3 573.591000 |
AKWXPKBHROSRKY-HXUWFJFHSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525651; PubChem:CID138558073
|
Local ready
Direct docking supported
|
|
E3L022554
BDB022554
|
BDBM525652
CN1CCN(c2ccc(-c3cc(CN4CCC(N5CCOCC5)CC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C34H40F4N6O3 656.725000 |
ZXQPWVCTBWBJLE-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525652; PubChem:CID137376454
|
Local ready
Direct docking supported
|
|
E3L022555
BDB022555
|
BDBM525653
CN1CCN(c2ccc(-c3cc(CN4CC[C@@H](N(C)C)C4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C31H36F4N6O2 600.661000 |
CBOLJLFNJWKKIR-JOCHJYFZSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525653; PubChem:CID138558046
|
Local ready
Direct docking supported
|
|
E3L022556
BDB022556
|
BDBM525654
CN1CCN(c2ccc(-c3cc(CN4CCNCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C29H32F4N6O2 572.607000 |
RDIJFNQKWLWKCS-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525654; PubChem:CID137376367
|
Local ready
Direct docking supported
|
|
E3L022557
BDB022557
|
BDBM525656
CN1CCN(c2ccc(-c3cc(CN4C5COCC4C5)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C30H31F4N5O3 585.602000 |
KYOLZFSJTRIOGN-UHFFFAOYSA-N | P61964, Q03164, Q15291 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM525656; PubChem:CID138558062
|
Local ready
Direct docking supported
|
|
E3L022558
BDB022558
|
BDBM525657
CN1CCN(c2ccc(-c3cc(CN4CC[C@@H](S(C)(=O)=O)C4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C30H33F4N5O4S 635.684000 |
FJOQIHHLLIDBIS-OAQYLSRUSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525657; PubChem:CID137376403
|
Local ready
Direct docking supported
|
|
E3L022559
BDB022559
|
BDBM525658
CN1CCN(c2ccc(-c3cc(CN(C)[C@H]4CCOC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C30H33F4N5O3 587.618000 |
QJGKTYAONCYKFZ-NRFANRHFSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525658; PubChem:CID138558091
|
Local ready
Direct docking supported
|
|
E3L022560
BDB022560
|
BDBM525659
CN1CCN(c2ccc(-c3cc(CN4CCOC(C)(C)C4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C31H35F4N5O3 601.645000 |
XXBPCORNASWFLI-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525659; PubChem:CID137376393
|
Local ready
Direct docking supported
|