| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L041281
BDB041281
|
BDBM772367
CCc1nc2ccc(C(C)N3CC(Oc4ccc(C(=O)NC)nc4F)C3)c(F)c2[nH]c1=O
|
C22H23F2N5O3 443.454000 |
IVIGQJQYBOEHKR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772367; PubChem:CID177269542
|
Local ready
Direct docking supported
|
|
E3L041282
BDB041282
|
BDBM772368
CCc1nc2ccc([C@H](C)N3CC(Oc4ccc(C(=O)NC)nc4F)C3)cc2[nH]c1=O
|
C22H24FN5O3 425.464000 |
YXLLMUGHIDLLSO-LBPRGKRZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772368; PubChem:CID177858813
|
Local ready
Direct docking supported
|
|
E3L041283
BDB041283
|
BDBM772369
CCc1nc2ccc([C@H](C)N3CC(Oc4ccc(C(=O)NC)nc4F)C3)cc2[nH]c1=O
|
C22H24FN5O3 425.464000 |
YXLLMUGHIDLLSO-LBPRGKRZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772369; PubChem:CID177858813
|
Local ready
Direct docking supported
|
|
E3L041284
BDB041284
|
BDBM772370
CCc1cc2ncc(CN3CC[C@H](Oc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C22H25N5O3 407.474000 |
RAFFPMUHRKUXIM-KRWDZBQOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772370; PubChem:CID168757307
|
Local ready
Direct docking supported
|
|
E3L041285
BDB041285
|
BDBM772373
CCc1cc2cnc(CN3CC[C@@H](Oc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C22H25N5O3 407.474000 |
DAGWHKZPKVFRHX-GOSISDBHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772373; PubChem:CID177269546
|
Local ready
Direct docking supported
|
|
E3L041286
BDB041286
|
US12421228, Example 1
NS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)cc1
|
C22H18FN5O3S 451.483000 |
TUEASPAOKOLMJD-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773529; PubChem:CID155239987
|
Local ready
Direct docking supported
|
|
E3L041287
BDB041287
|
US12421228, Example 2
Fc1ccc2c(c1CNc1ncc(-c3ccc(CN4CCCC4)cc3)c3cnncc13)CCO2
|
C27H26FN5O 455.537000 |
KBGQSWMNNAGVBA-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773530; PubChem:CID155239915
|
Local ready
Direct docking supported
|
|
E3L041288
BDB041288
|
US12421228, Example 3
Cc1cc(S(C)(=O)=O)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2cnncc12
|
C24H21FN4O3S 464.522000 |
WCNQUFWHFDQCCI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773531; PubChem:CID155239917
|
Local ready
Direct docking supported
|
|
E3L041289
BDB041289
|
US12421228, Example 4
Cc1cc(C(=O)N(C)C)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2cnncc12
|
C25H23FN6O2 458.497000 |
DGSWAJRRONNMEW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773532; PubChem:CID155239844
|
Local ready
Direct docking supported
|
|
E3L041290
BDB041290
|
US12421228, Example 5
Cc1c(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)ccc(CN(C)C)c1F
|
C26H25F2N5O 461.516000 |
JOBKABQCATUUBX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773533; PubChem:CID155239848
|
Local ready
Direct docking supported
|
|
E3L041291
BDB041291
|
US12421228, Example 6
Cc1cc(CN(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2cnncc12
|
C26H26FN5O 443.526000 |
FTDDINWGGREESO-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773534; PubChem:CID155239851
|
Local ready
Direct docking supported
|
|
E3L041292
BDB041292
|
US12421228, Example 7
CNS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)cc1
|
C23H20FN5O3S 465.510000 |
SIMLLURBQMCTDW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773535; PubChem:CID155239991
|
Local ready
Direct docking supported
|
|
E3L041293
BDB041293
|
US12421228, Example 8
CN(C)S(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)cc1
|
C24H22FN5O3S 479.537000 |
ADTYZSURJRPACP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773536; PubChem:CID155239988
|
Local ready
Direct docking supported
|
|
E3L041294
BDB041294
|
US12421228, Example 9
CN(C)C(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)cc1
|
C25H22FN5O2 443.482000 |
QKJOVJDITVCUGR-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773537; PubChem:CID155239990
|
Local ready
Direct docking supported
|
|
E3L041295
BDB041295
|
US12421228, Example 10
CN(C)S(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)cn1
|
C23H21FN6O3S 480.525000 |
NLZRHFDIQALGAV-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773538; PubChem:CID155239845
|
Local ready
Direct docking supported
|
|
E3L041296
BDB041296
|
US12421228, Example 11
Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2cnncc12
|
C22H18FN5O 387.418000 |
LRUFCYGECJDRPF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773539; PubChem:CID155239852
|
Local ready
Direct docking supported
|
|
E3L041297
BDB041297
|
US12421228, Example 12
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)ccn1
|
C22H18FN5O 387.418000 |
YHAGESHRXLAOHB-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773540; PubChem:CID155239849
|
Local ready
Direct docking supported
|
|
E3L041298
BDB041298
|
US12421228, Example 13
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)n(C)n1
|
C21H19FN6O 390.422000 |
UFSNXYLXFAKJQP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773541; PubChem:CID155239850
|
Local ready
Direct docking supported
|
|
E3L041299
BDB041299
|
US12421228, Example 14
CN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)cc1F
|
C25H23F2N5O 447.489000 |
QXQOLLHGXIIWFW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773542; PubChem:CID155239976
|
Local ready
Direct docking supported
|
|
E3L041300
BDB041300
|
US12421228, Example 15
CN(C)C(=O)c1cc(C2=CN=C(NCC3C4=C(C=CC3F)OCC4)C3=CN=NCC32)n(C)n1
|
C23H26FN7O2 451.506000 |
HZWPIGDPCJSIJY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773543; PubChem:CID177859232
|
Local ready
Direct docking supported
|