| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042821
BDB042821
|
BDBM787052
O=c1[nH]nc2c3c(cc(F)cc13)N[C@@H]([C@H]1CCOC1)[C@@H]2c1ccccc1Cl
|
C20H17ClFN3O2 385.826000 |
VOYPNRVRDSVYTB-OXNYHJJDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787052; PubChem:CID170615467
|
Local ready
Direct docking supported
|
|
E3L042822
BDB042822
|
BDBM787053
O=c1[nH]nc2c3c(cc(F)cc13)N[C@H](C1CCN(C3CCC(F)(F)CC3)CC1)[C@H]2c1ccccc1Cl
|
C27H28ClF3N4O 516.995000 |
OZPPIJYNCJCLIL-DNQXCXABSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787053; PubChem:CID178185437
|
Local ready
Direct docking supported
|
|
E3L042823
BDB042823
|
BDBM787054
O=c1[nH]nc2c3c(cc(F)cc13)N[C@@H](C1CCN(C3CCC(F)(F)CC3)CC1)[C@@H]2c1ccc(F)cc1F
|
C27H27F5N4O 518.530000 |
SOKOOSPIIGVCRF-ZEQRLZLVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787054; PubChem:CID170450156
|
Local ready
Direct docking supported
|
|
E3L042824
BDB042824
|
BDBM787055
CC(=O)N1CCC([C@H]2Nc3cc(F)cc4c(=O)[nH]nc(c34)[C@@H]2c2ccccc2Cl)CC1
|
C23H22ClFN4O2 440.906000 |
YJAAVHMZONGOFP-NHCUHLMSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787055; PubChem:CID178185438
|
Local ready
Direct docking supported
|
|
E3L042825
BDB042825
|
BDBM787056
O=c1[nH]nc2c3c(cc(F)cc13)NC(C1CCCN1)C2c1ccccc1Cl
|
C20H18ClFN4O 384.842000 |
HCCMJOXLTKKBJZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787056; PubChem:CID170615440
|
Local ready
Direct docking supported
|
|
E3L042826
BDB042826
|
BDBM787057
COCCN1CC[C@@H]([C@@H]2Nc3cc(F)cc4c3C(=NCC4=O)[C@H]2c2ccc(F)cc2F)C1
|
C24H24F3N3O2 443.469000 |
HBISPFWDSAJWRS-KNWAOAHBSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787057; PubChem:CID178185439
|
Local ready
Direct docking supported
|
|
E3L042827
BDB042827
|
BDBM787058
CN1CCC([C@H]2Nc3cc(F)cc4c3C(=NCC4=O)[C@@H]2c2ccc(F)cc2F)CC1
|
C23H22F3N3O 413.443000 |
PUBOZFUPCFABRG-FGZHOGPDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787058; PubChem:CID178185440
|
Local ready
Direct docking supported
|
|
E3L042828
BDB042828
|
BDBM787059
Cn1ncnc1[C@@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@H]1C1CCN(C2CCC(F)(F)CC2)CC1
|
C24H28F3N7O 487.530000 |
VRAHWUMPNHXWAC-PMACEKPBSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM787059
|
Local ready
Direct docking supported
|
|
E3L042829
BDB042829
|
BDBM787060
COCCN1CC[C@@H]([C@@H]2Nc3cc(F)cc4c3C(=NCC4=O)[C@H]2c2ccccc2Cl)C1
|
C24H25ClFN3O2 441.934000 |
GTOYVVJITNBNSI-ILFDSTAHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787060; PubChem:CID178185442
|
Local ready
Direct docking supported
|
|
E3L042830
BDB042830
|
BDBM787061
CN1CCC([C@H]2Nc3cc(F)cc4c(=O)[nH]nc(c34)[C@@H]2c2ccccc2Cl)CC1
|
C22H22ClFN4O 412.896000 |
MKHRJMRAFGSGPS-WOJBJXKFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787061; PubChem:CID170435455
|
Local ready
Direct docking supported
|
|
E3L042831
BDB042831
|
BDBM787062
Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1C1CCN(C2CCC(F)(F)CC2)CC1
|
C24H28F3N7O 487.530000 |
VRAHWUMPNHXWAC-WOJBJXKFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM787062
|
Local ready
Direct docking supported
|
|
E3L042832
BDB042832
|
BDBM787205
COc1cncc(-c2cc(Nc3cccc(F)c3)nc(C3CC[C@@H](C)N(C(C)=O)C3)n2)c1
|
C24H26FN5O2 435.503000 |
BPOWXODGCFZDRU-LDCVWXEPSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM787205; PubChem:CID156717075
|
Local ready
Direct docking supported
|
|
E3L042833
BDB042833
|
BDBM787206
COc1cncc(-c2cc(Nc3cccc(F)c3)nc(C3CC[C@H](C)N(C(C)=O)C3)n2)c1
|
C24H26FN5O2 435.503000 |
BPOWXODGCFZDRU-MYJWUSKBSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM787206; PubChem:CID178185504
|
Local ready
Direct docking supported
|
|
E3L042834
BDB042834
|
BDBM787207
CC(=O)N1CC(c2nc(Nc3ccc4[nH]ncc4c3)cc(-c3cccnc3)n2)CC[C@@H]1C
|
C24H25N7O 427.512000 |
PBJDNLATAKMOCT-BUSXIPJBSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM787207; PubChem:CID178185505
|
Local ready
Direct docking supported
|
|
E3L042835
BDB042835
|
BDBM787208
CC(=O)N1CC(c2nc(Nc3ccnc(C)c3)cc(-c3cccnc3)n2)CC[C@@H]1C
|
C23H26N6O 402.502000 |
CETVXZZJVFIUPT-UCFFOFKASA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM787208; PubChem:CID178185506
|
Local ready
Direct docking supported
|
|
E3L042836
BDB042836
|
BDBM787550
CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CCC2(C1)CN([C@H](CCCN)C(C)C)C2)C(C)C
|
C28H42FN7O2 527.689000 |
UDIGWQWOIBIODT-HSZRJFAPSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM787550; PubChem:CID156531583
|
Local ready
Direct docking supported
|
|
E3L042837
BDB042837
|
BDBM787553
CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CCC2(C1)CN([C@@H](CCCN)C(C)C)C2)C(C)C
|
C28H42FN7O2 527.689000 |
UDIGWQWOIBIODT-QHCPKHFHSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM787553; PubChem:CID156531431
|
Local ready
Direct docking supported
|
|
E3L042838
BDB042838
|
BDBM787557
CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CCC2(C1)CN(C(CCCN)C(C)C)C2)C(C)C
|
C28H42FN7O2 527.689000 |
UDIGWQWOIBIODT-UHFFFAOYSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM787557; PubChem:CID156531429
|
Local ready
Direct docking supported
|
|
E3L042839
BDB042839
|
BDBM787561
CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CCC2(C1)CN([C@H](CCCN(C)C)C(C)C)C2)C(C)C
|
C30H46FN7O2 555.743000 |
FNTDEOLCBADNAL-RUZDIDTESA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM787561; PubChem:CID156531900
|
Local ready
Direct docking supported
|
|
E3L042840
BDB042840
|
BDBM787615
CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CCC2(C1)CN([C@@H](CCCN(C)C)C(C)C)C2)C(C)C
|
C30H46FN7O2 555.743000 |
FNTDEOLCBADNAL-VWLOTQADSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM787615; PubChem:CID156531823
|
Local ready
Direct docking supported
|