| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L019021
BDB019021
|
BDBM449285
CCCOc1cc(OCCCCN(C)C)cc(Oc2cc3c(cc2NS(=O)(=O)c2cccc(C(=O)NCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c2)n(C)c(=O)n3C)c1
|
C50H58N8O13S 1011.124000 |
SEKRKCVDQLBGRB-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB
BindingDB:BDBM449285
|
Local ready
Direct docking supported
|
|
E3L019022
BDB019022
|
BDBM449294
CCCOc1cc(OCCCCN(C)C)cc(Oc2cc3c(cc2NS(=O)(=O)c2cccc(C(=O)NCCCCCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c2)n(C)c(=O)n3C)c1
|
C54H66N8O13S 1067.232000 |
RFBUDSUCWGHDFO-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB
BindingDB:BDBM449294
|
Local ready
Direct docking supported
|
|
E3L019023
BDB019023
|
BDBM449296
CCCOc1cc(OCCCCN(C)C)cc(Oc2cc3c(cc2NS(=O)(=O)c2cccc(C(=O)NCCCOCCOCCOCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c2)n(C)c(=O)n3C)c1
|
C56H70N8O16S 1143.283000 |
SQIQWRYFFDZQMV-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB
BindingDB:BDBM449296
|
Local ready
Direct docking supported
|
|
E3L019024
BDB019024
|
BDBM449303
CCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2cccc(C(=O)NCCOCCOCCOc4cc(-c5scnc5C)ccc4CNC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@H](C(C)C)N4Cc5ccccc5C4=O)c2)n(C)c(=O)n3C)c1
|
C60H68N8O13S2 1173.381000 |
BZUWDZIKESTHDF-UYTCSMNDSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB
BindingDB:BDBM449303
|
Local ready
Direct docking supported
|
|
E3L019025
BDB019025
|
BDBM449304
CCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2cccc(C(=O)NCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)c2)n(C)c(=O)n3C)c1
|
C53H64N8O12S2 1069.273000 |
KODJNDDYLQFBGA-KLMUYSIASA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB
BindingDB:BDBM449304
|
Local ready
Direct docking supported
|
|
E3L019026
BDB019026
|
dTRIM24
CCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2cccc(C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)c2)n(C)c(=O)n3C)c1
|
C55H68N8O13S2 1113.326000 |
QUQTXFIMYFMULC-OGOZKGDESA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM449305; PubChem:CID131954388
|
Local ready
Direct docking supported
|
|
E3L019027
BDB019027
|
BDBM449307
CCCOc1cc(OCCCCN(C)C)cc(Oc2cc3c(cc2NS(=O)(=O)c2cccc(C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)c2)n(C)c(=O)n3C)c1
|
C61H81N9O14S2 1228.502000 |
MZUVPSYPCGXWMF-JXZBIKIKSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB
BindingDB:BDBM449307
|
Local ready
Direct docking supported
|
|
E3L019028
BDB019028
|
BDBM449309
COc1ccc(S(=O)(=O)Nc2cc3c(cc2Cc2ccc(OCc4ccccc4)cc2)n(C)c(=O)n3C)cc1OC
|
C31H31N3O6S 573.671000 |
UIQKDBKXBSLEAC-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM449309; PubChem:CID155818233
|
Local ready
Direct docking supported
|
|
E3L019029
BDB019029
|
BDBM449322
CCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2cccc(C(=O)NCCCCNC(=O)CC45CC6CC(CC(C6)C4)C5)c2)n(C)c(=O)n3C)c1
|
C41H51N5O7S 757.954000 |
KTLNZRWKKWYWLH-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM449322; PubChem:CID139317016
|
Local ready
Direct docking supported
|
|
E3L019030
BDB019030
|
Neo2734
Cc1cc(-c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2)cn(C)c1=O
|
C22H24F3N3O3 435.446000 |
KPWWFNXRLAAREN-UHFFFAOYSA-N | Q09472, Q92793 | CREB-binding protein, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM449844; PubChem:CID126582741
|
Local ready
Direct docking supported
|
|
E3L019031
BDB019031
|
US10676479, Example 1
Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)c(C)n1
|
C21H19FN6O 390.422000 |
KNVKGEUUCFUUIB-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450870; PubChem:CID132257045
|
Local ready
Direct docking supported
|
|
E3L019032
BDB019032
|
US10676479, Example 2
CNC(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnc3C)c12
|
C23H21FN6O2 432.459000 |
GTPFFCKGIGDQSR-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450871; PubChem:CID139346191
|
Local ready
Direct docking supported
|
|
E3L019033
BDB019033
|
US10676479, Example 3
Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C#N)c23)c(C)n1
|
C22H18FN7O 415.432000 |
IIIOCCSATMOANP-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450873; PubChem:CID139346147
|
Local ready
Direct docking supported
|
|
E3L019034
BDB019034
|
US10676479, Example 4
Cc1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(C)(=O)=O)cc3)c12
|
C23H21FN4O3S 452.511000 |
RZHMGYHYURIAFB-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450877; PubChem:CID132257198
|
Local ready
Direct docking supported
|
|
E3L019035
BDB019035
|
US10676479, Example 5
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C#N)c23)n(C)n1
|
C21H18FN7O 403.421000 |
YJHCUUIBUCMIFB-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450968; PubChem:CID132257196
|
Local ready
Direct docking supported
|
|
E3L019036
BDB019036
|
US10676479, Example 6
Cc1cn(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C#N)c23)cn1
|
C20H16FN7O 389.394000 |
DGNBZQIVGFSZMN-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450969; PubChem:CID139346219
|
Local ready
Direct docking supported
|
|
E3L019037
BDB019037
|
US10676479, Example 7
CCc1ncn2c(NCc3cc(OC)c(F)cc3F)ncc(-c3ccc(S(C)(=O)=O)cc3)c12
|
C23H22F2N4O3S 472.517000 |
LVLBRKQPTQCXPF-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450970; PubChem:CID155818468
|
Local ready
Direct docking supported
|
|
E3L019038
BDB019038
|
US10676479, Example 8
Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(CO)c23)c(C)n1
|
C22H21FN6O2 420.448000 |
AKZXZQQRQDPNDI-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450971; PubChem:CID139346074
|
Local ready
Direct docking supported
|
|
E3L019039
BDB019039
|
US10676479, Example 9
Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(Cl)c23)c(C)n1
|
C21H18ClFN6O 424.867000 |
MLSCIYIGMFKQRX-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450975; PubChem:CID132257424
|
Local ready
Direct docking supported
|
|
E3L019040
BDB019040
|
US10676479, Example 10
Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(S(C)(=O)=O)c12
|
C22H20FN5O3S 453.499000 |
UNASHSXBPRWRBJ-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450978; PubChem:CID139346214
|
Local ready
Direct docking supported
|