| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L035101
BDB035101
|
BDBM707151
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc[nH]c(=O)c3)c2n1
|
C21H15FN6O2 402.389000 |
JIBDHSHJRVFEIW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707151; PubChem:CID150681933
|
Local ready
Direct docking supported
|
|
E3L035102
BDB035102
|
US11091495, Example 223
[2H]C1Oc2ccc(F)c(C([2H])([2H])Nc3ncc(-c4ccc(CN(C)C)cc4C)c4nc(C#N)cn34)c2C1[2H]
|
C26H25FN6O 460.549407 |
FLCIOLFIDGTRCI-OWAZHTFNSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707156; PubChem:CID155788037
|
Local ready
Direct docking supported
|
|
E3L035103
BDB035103
|
US11091495, Example 224
Cn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(C#N)n1
|
C21H15FN8O 414.404000 |
DAVDIQRPWGWPFS-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707157; PubChem:CID156050909
|
Local ready
Direct docking supported
|
|
E3L035104
BDB035104
|
BDBM707162
CN1CCN(C(=O)c2cc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C#N)nc34)n(C)n2)CC1
|
C26H26FN9O2 515.553000 |
JTCGIKFKCGLAPJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707162; PubChem:CID155676915
|
Local ready
Direct docking supported
|
|
E3L035105
BDB035105
|
BDBM707163
CN(C)CCn1nccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C23H23FN8O 446.490000 |
PYPNAVIDPGTVCP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707163; PubChem:CID139371722
|
Local ready
Direct docking supported
|
|
E3L035106
BDB035106
|
BDBM707164
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccnn3CCO)c2n1
|
C21H18FN7O2 419.420000 |
FEBQMVADONDCSH-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707164; PubChem:CID139371093
|
Local ready
Direct docking supported
|
|
E3L035107
BDB035107
|
BDBM707165
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3n[nH]cc3Br)c2n1
|
C19H13BrFN7O 454.263000 |
QJOCJQZOHIWCTD-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707165; PubChem:CID139371710
|
Local ready
Direct docking supported
|
|
E3L035108
BDB035108
|
BDBM707166
Cc1c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cnc(CN(C)C)c1F
|
C25H23F2N7O 475.503000 |
XMQRHCDCYAICKZ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707166; PubChem:CID155676957
|
Local ready
Direct docking supported
|
|
E3L035109
BDB035109
|
BDBM707186
CCC1Cc2ncc(CN3CCN(C4C=C5CN(C)C(=O)C5=CC4)CC3)cc2NC1=O
|
C24H31N5O2 421.545000 |
YCVHOGDBKJFPGL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707186; PubChem:CID172991679
|
Local ready
Direct docking supported
|
|
E3L035110
BDB035110
|
BDBM707187
CCC1CC2N=CC(CN3CCN(C4CN=C(C(=O)NC)C=N4)CC3)=CC2NC1=O
|
C21H31N7O2 413.526000 |
GBJAVTQKJGHIHM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707187; PubChem:CID172991680
|
Local ready
Direct docking supported
|
|
E3L035111
BDB035111
|
BDBM707188
CCC1Cc2ncc(CN3CCN(C4C=NC(C5NN=C(C)O5)=CC4)CC3)cc2NC1=O
|
C23H31N7O2 437.548000 |
ATGQRKHGMBWZEP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707188; PubChem:CID172991681
|
Local ready
Direct docking supported
|
|
E3L035112
BDB035112
|
BDBM707189
CCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC5CC5)nc4)CC3)CC2NC1=O
|
C24H32N6O2 436.560000 |
GTCQRARQFNUVRK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707189; PubChem:CID172991682
|
Local ready
Direct docking supported
|
|
E3L035113
BDB035113
|
BDBM707190
CCC1CC2N=CC(CN3CCN(C4C=C(F)C(C(=O)NC)=NC4)CC3)=CC2NC1=O
|
C22H31FN6O2 430.528000 |
HJPXJENEIQNQIL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707190; PubChem:CID172991683
|
Local ready
Direct docking supported
|
|
E3L035114
BDB035114
|
BDBM707191
CCC1CC2N=CC(CN3CCN(C4C=CC(NC(C)=O)=NC4)CC3)=CC2NC1=O
|
C22H32N6O2 412.538000 |
YGKGIAODMYWBNR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707191; PubChem:CID172991684
|
Local ready
Direct docking supported
|
|
E3L035115
BDB035115
|
BDBM707192
CCC1=CC2N=CC(CN3CCN(c4ccc(NC(=O)OC)nc4)CC3)CC2NC1=O
|
C22H30N6O3 426.521000 |
JBLZNIPDWYVFLR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707192; PubChem:CID172991685
|
Local ready
Direct docking supported
|
|
E3L035116
BDB035116
|
BDBM707193
CCC1CC2N=CC(CN3CCN(C4C=CC(NC(=O)C5CC5)=NC4)CC3)=CC2NC1=O
|
C24H34N6O2 438.576000 |
AIBWHFFGXBLVPX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707193; PubChem:CID172991686
|
Local ready
Direct docking supported
|
|
E3L035117
BDB035117
|
BDBM707194
CCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC5CCC5)nc4)CC3)CC2NC1=O
|
C25H34N6O2 450.587000 |
TZXAESTYHYYELH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707194; PubChem:CID172991687
|
Local ready
Direct docking supported
|
|
E3L035118
BDB035118
|
BDBM707195
CCC1CC2N=CC(CN3CCN(C4C=CC(C(=O)N[C@@H]5C[C@@H]5F)=NC4)CC3)=CC2NC1=O
|
C24H33FN6O2 456.566000 |
KTBPNDIFJAIALD-REZDGGCYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707195; PubChem:CID172991688
|
Local ready
Direct docking supported
|
|
E3L035119
BDB035119
|
BDBM707196
CCC1CC2N=CC(CN3CCN(C4CN=C(C(=O)NC)C=C4F)CC3)=CC2NC1=O
|
C22H31FN6O2 430.528000 |
DURZTXDZTLTZPZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707196; PubChem:CID172991689
|
Local ready
Direct docking supported
|
|
E3L035120
BDB035120
|
BDBM707197
CCC1=CC2N=CC(CN3CCN(c4cnc(C(=O)NC5CC5)cc4F)CC3)CC2NC1=O
|
C24H31FN6O2 454.550000 |
WKECQKJJLWYPEP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707197; PubChem:CID172991690
|
Local ready
Direct docking supported
|