| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L013001
BDB013001
|
US9567320, Example 16
COc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(-c5cccnc5)ccc4=O)c3)nc2c1
|
C25H20N6O3 452.474000 |
PETOGDHWSNAURO-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM286325; PubChem:CID77847553
|
Local ready
Direct docking supported
|
|
E3L013002
BDB013002
|
US9567320, Example 17**:
O=C(Nc1nc2ccccc2[nH]1)c1cccc(Cn2nc(-c3cncc(CO)c3)ccc2=O)c1
|
C25H20N6O3 452.474000 |
KDQCBNQJUSCQKZ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM286326; PubChem:CID77847636
|
Local ready
Direct docking supported
|
|
E3L013003
BDB013003
|
US9580437, Example 1
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)n(C)n1
|
C19H18FN7O 379.399000 |
ZQROGAWPFDGNBR-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291686; PubChem:CID121412478
|
Local ready
Direct docking supported
|
|
E3L013004
BDB013004
|
Mak-683
Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C20H17FN6O 376.395000 |
XLIBABIFOBYHSV-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291687; PubChem:CID121412508
|
Local ready
Direct docking supported
|
|
E3L013005
BDB013005
|
US9580437, Example 3
Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)c(C)n1
|
C20H18FN7O 391.410000 |
DTDNVSQMUWBXOK-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291688; PubChem:CID121412477
|
Local ready
Direct docking supported
|
|
E3L013006
BDB013006
|
US9580437, Example 4
Cc1nn(C(C)C)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C21H22FN7O 407.453000 |
MHZXGNDMFMENQD-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291689; PubChem:CID121412597
|
Local ready
Direct docking supported
|
|
E3L013007
BDB013007
|
US9580437, Example 5
COc1cc(C)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)cn1
|
C21H19FN6O2 406.421000 |
CLWFDFUVIUSTHL-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291690; PubChem:CID121412535
|
Local ready
Direct docking supported
|
|
E3L013008
BDB013008
|
US9580437, Example 6
Cc1nc(C2CC2)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C23H21FN6O 416.460000 |
DBKOXSUBPPSSOQ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291691; PubChem:CID121412636
|
Local ready
Direct docking supported
|
|
E3L013009
BDB013009
|
US9580437, Example 7
OCc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C20H17FN6O2 392.394000 |
FROQSIVUBJGRBJ-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291692; PubChem:CID121412473
|
Local ready
Direct docking supported
|
|
E3L013010
BDB013010
|
US9580437, Example 8
Cc1nc(C2CC2)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C22H20FN7O 417.448000 |
TXRLRLBNYXSZGD-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291693; PubChem:CID121412471
|
Local ready
Direct docking supported
|
|
E3L013011
BDB013011
|
US9580437, Example 9
Cc1nc(OC(C)C)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C22H22FN7O2 435.463000 |
NBLSSBXVTJFIFV-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291694; PubChem:CID121412645
|
Local ready
Direct docking supported
|
|
E3L013012
BDB013012
|
US9580437, Example 10
[O-][n+]1cccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)c1
|
C19H15FN6O2 378.367000 |
VCMDFQHVNRLVEX-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291695; PubChem:CID121412539
|
Local ready
Direct docking supported
|
|
E3L013013
BDB013013
|
US9580437, Example 11
CN(C)Cc1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cc1
|
C23H24N6O 400.486000 |
KCSVXFVJXLVYFS-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291696; PubChem:CID121432925
|
Local ready
Direct docking supported
|
|
E3L013014
BDB013014
|
US9580437, Example 12
CS(=O)(=O)c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cc1
|
C21H19N5O3S 421.482000 |
GDDMEOORUYUIJL-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291697; PubChem:CID121433042
|
Local ready
Direct docking supported
|
|
E3L013015
BDB013015
|
US9580437, Example 13
c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cc1
|
C20H17N5O 343.390000 |
OIAQKXJXJLUAPX-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291698; PubChem:CID121432926
|
Local ready
Direct docking supported
|
|
E3L013016
BDB013016
|
US9580437, Example 14
CC(c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cc1)N1CCCC1
|
C26H28N6O 440.551000 |
NECGBMLKHWOUJC-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291699; PubChem:CID121432821
|
Local ready
Direct docking supported
|
|
E3L013017
BDB013017
|
US9580437, Example 15
CN(C)S(=O)(=O)c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cc1
|
C22H22N6O3S 450.524000 |
WHKQTEVRNINIBA-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291700; PubChem:CID121432934
|
Local ready
Direct docking supported
|
|
E3L013018
BDB013018
|
US9580437, Example 16
c1cncc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)c1
|
C19H16N6O 344.378000 |
VFLXVDWCZHLLLM-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291701; PubChem:CID121432827
|
Local ready
Direct docking supported
|
|
E3L013019
BDB013019
|
US9580437, Example 17
c1cc(CNc2ncc(-c3ccncc3)c3nncn23)c2c(c1)OCC2
|
C19H16N6O 344.378000 |
ADDFHWGEAOKELS-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291702; PubChem:CID121432828
|
Local ready
Direct docking supported
|
|
E3L013020
BDB013020
|
US9580437, Example 18
CN1CCN(c2cc(-c3cnc(NCc4cccc5c4CCO5)n4cnnc34)ccn2)CC1
|
C24H26N8O 442.527000 |
KDYSIBDFRNPOIK-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291703; PubChem:CID121432937
|
Local ready
Direct docking supported
|