| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L025661
BDB025661
|
BDBM552995
CC1CN(c2cc(F)c(-c3cccc(CN4CCOCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CCN1C
|
C30H33F4N5O3 587.618000 |
IAEZONCHIHJVKX-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM552995; PubChem:CID138541626
|
Local ready
Direct docking supported
|
|
E3L025662
BDB025662
|
BDBM552996
CN1CCN(c2cc(F)c(-c3ccnc(N4CCOCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C27H28F4N6O3 560.552000 |
IIHUZGGGNFKXJX-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM552996; PubChem:CID137376923
|
Local ready
Direct docking supported
|
|
E3L025663
BDB025663
|
BDBM552997
CN1CCN(c2cc(F)c(-c3cncc(CN4CCOCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C28H30F4N6O3 574.579000 |
JLYOQMKXQGIXGN-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM552997; PubChem:CID138541639
|
Local ready
Direct docking supported
|
|
E3L025664
BDB025664
|
BDBM552998
CN1CCN(c2cc(F)c(-c3cncc(CNC4CCOCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C29H32F4N6O3 588.606000 |
CFABCGCXJQFLAB-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM552998; PubChem:CID138542168
|
Local ready
Direct docking supported
|
|
E3L025665
BDB025665
|
BDBM552999
CN1CCN(c2cc(F)c(-c3cncc(CNC4CCOC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C28H30F4N6O3 574.579000 |
MLWGWBABICPOMW-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM552999; PubChem:CID138541634
|
Local ready
Direct docking supported
|
|
E3L025666
BDB025666
|
BDBM553000
C[C@@H]1CN(c2cc(F)c(-c3cccc(CN4CCOCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CCN1C
|
C30H33F4N5O3 587.618000 |
IAEZONCHIHJVKX-LJQANCHMSA-N | P61964, Q03164, Q15291, Q969U6 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM553000; PubChem:CID138541739
|
Local ready
Direct docking supported
|
|
E3L025667
BDB025667
|
BDBM553001
C[C@H]1CN(c2cc(F)c(-c3cccc(CN4CCOCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CCN1C
|
C30H33F4N5O3 587.618000 |
IAEZONCHIHJVKX-IBGZPJMESA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM553001; PubChem:CID138541625
|
Local ready
Direct docking supported
|
|
E3L025668
BDB025668
|
BDBM553002
C[C@@H]1CN(c2cc(F)c(-c3cccc(CN4CCOCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C31H35F4N5O3 601.645000 |
SSOACIZIDUEFOJ-BGYRXZFFSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM553002; PubChem:CID137377287
|
Local ready
Direct docking supported
|
|
E3L025669
BDB025669
|
BDBM553003
CN(C)C1CCN(c2cc(F)c(-c3cccc(CN4CCOCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C1
|
C30H33F4N5O3 587.618000 |
ZUVJNJIAGSBLES-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM553003; PubChem:CID138541676
|
Local ready
Direct docking supported
|
|
E3L025670
BDB025670
|
BDBM553004
CN1CCN(c2cc(Cl)c(-c3cccc(CN4CCOCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C29H31ClF3N5O3 590.046000 |
LQOMVNOXBXIXGZ-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM553004; PubChem:CID138542111
|
Local ready
Direct docking supported
|
|
E3L025671
BDB025671
|
BDBM553005
COc1cc(N2C[C@@H](C)N(C)[C@@H](C)C2)c(NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)cc1-c1cnc(N2CCOCC2)nc1
|
C29H34F3N7O4 601.630000 |
VPAPDESFNQJEAM-HDICACEKSA-N | P61964, Q03164 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM553005; PubChem:CID138542109
|
Local ready
Direct docking supported
|
|
E3L025672
BDB025672
|
BDBM553006
CN1CCN(c2ccc(-c3cnc(N4CCOCC4)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C26H28F3N7O3 543.550000 |
QNXFOPYFFZOHCX-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM553006; PubChem:CID138542385
|
Local ready
Direct docking supported
|
|
E3L025673
BDB025673
|
BDBM553008
C[C@@H]1CN(c2ccc(-c3cnc(N4CCOCC4)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C28H32F3N7O3 571.604000 |
HLVBKFBJGZIHHT-HDICACEKSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM553008; PubChem:CID138542237
|
Local ready
Direct docking supported
|
|
E3L025674
BDB025674
|
BDBM553009
C[C@@H]1CN(c2cc(C(F)(F)F)c(-c3cnc(N4CCOCC4)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C29H31F6N7O3 639.601000 |
BSHVBRMHYSRWAH-CALCHBBNSA-N | P61964, Q03164 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM553009; PubChem:CID138541844
|
Local ready
Direct docking supported
|
|
E3L025675
BDB025675
|
BDBM553011
Cc1cc(N2C[C@@H](C)N(C)[C@@H](C)C2)c(NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)cc1-c1cnc(N2CCOCC2)nc1
|
C29H34F3N7O3 585.631000 |
BACRUGIGWRRCPL-KDURUIRLSA-N | P61964, Q03164 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM553011; PubChem:CID138542457
|
Local ready
Direct docking supported
|
|
E3L025676
BDB025676
|
BDBM553012
C[C@@H]1CN(c2cc(F)c(-c3ccc4c(c3)OCO4)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C27H26F4N4O4 546.521000 |
XSKIDCKYOWFPGZ-GASCZTMLSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM553012; PubChem:CID137377274
|
Local ready
Direct docking supported
|
|
E3L025677
BDB025677
|
BDBM553013
CC(=O)Nc1ccc(-c2cc(NC(=O)c3c[nH]c(=O)cc3C(F)(F)F)c(N3C[C@@H](C)N(C)[C@@H](C)C3)cc2F)cn1
|
C27H28F4N6O3 560.552000 |
UZRUTOSAHIFTIN-GASCZTMLSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM553013; PubChem:CID137377509
|
Local ready
Direct docking supported
|
|
E3L025678
BDB025678
|
BDBM553014
COc1cc(=O)[nH]cc1C(=O)Nc1cc(-c2cnc(N3CCOCC3)nc2)c(F)cc1N1C[C@@H](C)N(C)[C@@H](C)C1
|
C28H34FN7O4 551.623000 |
BEJAVWVXDWQOOD-HDICACEKSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM553014; PubChem:CID138542116
|
Local ready
Direct docking supported
|
|
E3L025679
BDB025679
|
US11319287, Example 70
CCOC(=O)c1c(-c2cccc3c2CCN3C(=O)[C@@H]2CCCN2C#N)cnn1Cc1ccc(OC)cc1
|
C28H29N5O4 499.571000 |
DEONVMQTIFZVEA-VWLOTQADSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM553015; PubChem:CID124197557
|
Local ready
Direct docking supported
|
|
E3L025680
BDB025680
|
BDBM553016
C[C@@H]1CN(c2cc(F)c(-c3ccnc(OCC4CC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C29H31F4N5O3 573.591000 |
TVNJHGAUZGOANB-CALCHBBNSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM553016; PubChem:CID137376993
|
Local ready
Direct docking supported
|