| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L013121
BDB013121
|
US9580437, Example 119
Fc1ccc2c(c1CNc1ncc(-c3ccc(C4CC4)nc3)c3nncn13)CCO2
|
C22H19FN6O 402.433000 |
DHZFRVBZKIOBEV-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291804; PubChem:CID121432881
|
Local ready
Direct docking supported
|
|
E3L013122
BDB013122
|
US9580437, Example 120
Fc1ccc2c(c1CNc1ncc(-c3ccnc(N4CCOCC4)c3)c3nncn13)CCO2
|
C23H22FN7O2 447.474000 |
QUOUXYXJTCBLEF-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291805; PubChem:CID121432971
|
Local ready
Direct docking supported
|
|
E3L013123
BDB013123
|
US9580437, Example 121
N#Cc1ccccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C21H15FN6O 386.390000 |
HGZDFOSXMQEHGD-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291806; PubChem:CID121432966
|
Local ready
Direct docking supported
|
|
E3L013124
BDB013124
|
US9580437, Example 122
NC(=O)c1ccccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C21H17FN6O2 404.405000 |
HCBBVTTVXPYRPG-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291807; PubChem:CID121432968
|
Local ready
Direct docking supported
|
|
E3L013125
BDB013125
|
US9580437, Example 123
Cc1ncccc1-c1cnc(NCc2cccc3c2CCO3)n2cnnc12
|
C20H18N6O 358.405000 |
DBCXJTXJYGATNH-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291808; PubChem:CID121433070
|
Local ready
Direct docking supported
|
|
E3L013126
BDB013126
|
US9580437, Example 124
Fc1ccc2c(c1CNc1ncc(-c3cnccc3Cl)c3nncn13)CCO2
|
C19H14ClFN6O 396.813000 |
LEFIDTXWZIANAM-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291809; PubChem:CID121432969
|
Local ready
Direct docking supported
|
|
E3L013127
BDB013127
|
US9580437, Example 125
O=C1CNCCN1c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C23H22N8O2 442.483000 |
DCANOELGDVKTTQ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291810; PubChem:CID121432872
|
Local ready
Direct docking supported
|
|
E3L013128
BDB013128
|
US9580437, Example 126
OC1CN(c2ccc(-c3cnc(NCc4cccc5c4CCO5)n4cnnc34)cn2)C1
|
C22H21N7O2 415.457000 |
MEXQSCNJSSKRTA-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291811; PubChem:CID121432877
|
Local ready
Direct docking supported
|
|
E3L013129
BDB013129
|
US9580437, Example 127
Cc1cc(S(C)(=O)=O)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C21H19FN6O3S 454.487000 |
GUCRIBUTILKTSS-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291812; PubChem:CID121432970
|
Local ready
Direct docking supported
|
|
E3L013130
BDB013130
|
US9580437, Example 128
Cc1cc(S(C)(=O)=O)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C22H20FN5O3S 453.499000 |
IPNXCHNXDBXYIB-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291813; PubChem:CID121432892
|
Local ready
Direct docking supported
|
|
E3L013131
BDB013131
|
US9580437, Example 129
O=C(c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)cn1)N1CCCC1
|
C24H22FN7O2 459.485000 |
KNCHKNZBONBSSY-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291814; PubChem:CID121433072
|
Local ready
Direct docking supported
|
|
E3L013132
BDB013132
|
US9580437, Example 130
Cc1cc(C(=O)N2CCCC2)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C25H24FN7O2 473.512000 |
WZZICXXQMQLPFR-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291815; PubChem:CID121433071
|
Local ready
Direct docking supported
|
|
E3L013133
BDB013133
|
US9580437, Example 131
Cc1cc(C(=O)N(C)C)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C23H22FN7O2 447.474000 |
AAJAVYJCVGGOEZ-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291816; PubChem:CID121432974
|
Local ready
Direct docking supported
|
|
E3L013134
BDB013134
|
US9580437, Example 132
Cc1nn(C)c(C)c1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C20H20FN7O 393.426000 |
HDNPSWXZXMAXCF-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291817; PubChem:CID121432977
|
Local ready
Direct docking supported
|
|
E3L013135
BDB013135
|
US9580437, Example 133
O=C1CN(Cc2ccc(-c3cnc(NCc4cccc5c4CCO5)n4cnnc34)cn2)CCN1
|
C24H24N8O2 456.510000 |
DMNYVPRPVYTJBJ-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291818; PubChem:CID121432973
|
Local ready
Direct docking supported
|
|
E3L013136
BDB013136
|
US9580437, Example 134
O=CN1CCN(c2ccc(-c3cnc(NCc4cccc5c4CCO5)n4cnnc34)cn2)CC1
|
C24H24N8O2 456.510000 |
QVNFRQNZBTZXRZ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291819; PubChem:CID121432975
|
Local ready
Direct docking supported
|
|
E3L013137
BDB013137
|
US9580437, Example 135
CN(C)C(=O)CCc1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C24H25N7O2 443.511000 |
CHAFYTDIKJYPEE-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291820; PubChem:CID121432899
|
Local ready
Direct docking supported
|
|
E3L013138
BDB013138
|
US9580437, Example 136
Fc1ccc2c(c1CNc1ncc(-c3cnccc3C(F)(F)F)c3nncn13)CCO2
|
C20H14F4N6O 430.365000 |
YNALWGRJSRAASC-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291821; PubChem:CID121433011
|
Local ready
Direct docking supported
|
|
E3L013139
BDB013139
|
US9580437, Example 137
COCc1cc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cnc1C
|
C22H22N6O2 402.458000 |
ZFYVMADJHCXVAS-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291822; PubChem:CID121433074
|
Local ready
Direct docking supported
|
|
E3L013140
BDB013140
|
US9580437, Example 138
COc1cc(Cl)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)cn1
|
C20H16ClFN6O2 426.839000 |
QCAPCQDNAVGQLT-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291823; PubChem:CID121432980
|
Local ready
Direct docking supported
|