| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L033021
BDB033021
|
BDBM655792
CC(=O)Nc1cc(NCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)ccc1C(=O)Nc1nc(C)c([N+](=O)[O-])s1
|
C46H57ClN10O11S2 1025.608000 |
ZQLCTJRQNHQGTE-LHEWISCISA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM655792
|
Local ready
Direct docking supported
|
|
E3L033022
BDB033022
|
BDBM655793
CC(=O)Nc1cc(NCCOCCOCCNC(=O)CN2CCN(c3ccc(Nc4ncc5c(C)c(C(C)=O)c(=O)n(C6CCCC6)c5n4)nc3)CC2)ccc1C(=O)Nc1nc(C)c([N+](=O)[O-])s1
|
C45H55N13O9S 954.084000 |
KJICADBESNBVSF-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM655793
|
Local ready
Direct docking supported
|
|
E3L033023
BDB033023
|
BDBM655794
CC(=O)Nc1cc(NCCOCCOCCOCCNC(=O)CN2CCN(c3ccc(Nc4ncc5c(C)c(C(C)=O)c(=O)n(C6CCCC6)c5n4)nc3)CC2)ccc1C(=O)Nc1nc(C)c([N+](=O)[O-])s1
|
C47H59N13O10S 998.137000 |
ZKBNSCCUXVXCJP-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM655794
|
Local ready
Direct docking supported
|
|
E3L033024
BDB033024
|
BDBM655795
CC(=O)Nc1cc(NCCOCCOCCOCCOCCNC(=O)CN2CCN(c3ccc(Nc4ncc5c(C)c(C(C)=O)c(=O)n(C6CCCC6)c5n4)nc3)CC2)ccc1C(=O)Nc1nc(C)c([N+](=O)[O-])s1
|
C49H63N13O11S 1042.190000 |
PVWKLGDHSBSBCC-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM655795
|
Local ready
Direct docking supported
|
|
E3L033025
BDB033025
|
BDBM655796
CC(=O)Nc1cc(NCCOCCOCCOCCOCCOCCNC(=O)CN2CCN(c3ccc(Nc4ncc5c(C)c(C(C)=O)c(=O)n(C6CCCC6)c5n4)nc3)CC2)ccc1C(=O)Nc1nc(C)c([N+](=O)[O-])s1
|
C51H67N13O12S 1086.243000 |
RQRRAXJMKLCWQM-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM655796
|
Local ready
Direct docking supported
|
|
E3L033026
BDB033026
|
BDBM655797
CC(=O)Nc1cc(NCCOCCOCCOCCOCCOCCOCCNC(=O)CN2CCN(c3ccc(Nc4ncc5c(C)c(C(C)=O)c(=O)n(C6CCCC6)c5n4)nc3)CC2)ccc1C(=O)Nc1nc(C)c([N+](=O)[O-])s1
|
C53H71N13O13S 1130.296000 |
SYLNRFNODDHECZ-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM655797
|
Local ready
Direct docking supported
|
|
E3L033027
BDB033027
|
BDBM656327
Cc1ccc(O)c(C(=O)NC2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1
|
C20H19F3N2O3 392.377000 |
ACGLRHRNOLCYOQ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM656327; PubChem:CID56906382
|
Local ready
Direct docking supported
|
|
E3L033028
BDB033028
|
US11919855, Name NUCC-0202653
Cc1ccc(O)c(C(=O)NC2CC(=O)N(Cc3ccccc3[N+](=O)[O-])C2)c1
|
C19H19N3O5 369.377000 |
VBXXYZPMTVCSDR-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM656328; PubChem:CID166031154
|
Local ready
Direct docking supported
|
|
E3L033029
BDB033029
|
US11919855, Name NUCC-0202654
COc1ccc(C)cc1C(=O)NC1CC(=O)N(Cc2ccccc2[N+](=O)[O-])C1
|
C20H21N3O5 383.404000 |
AGAFRGYJOXACLV-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM656329; PubChem:CID166031161
|
Local ready
Direct docking supported
|
|
E3L033030
BDB033030
|
US11919855, Name NUCC-0202655
COc1cccc(CC(=O)NC2CC(=O)N(Cc3ccccc3[N+](=O)[O-])C2)c1
|
C20H21N3O5 383.404000 |
NHPAQWPPFSBNJU-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM656332; PubChem:CID166031158
|
Local ready
Direct docking supported
|
|
E3L033031
BDB033031
|
US11919855, Name NUCC-0202656
Cc1c(C(=O)NC2CC(=O)N(Cc3ccccc3[N+](=O)[O-])C2)cccc1[N+](=O)[O-]
|
C19H18N4O6 398.375000 |
REZASBIQFKHWFQ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM656344; PubChem:CID166031126
|
Local ready
Direct docking supported
|
|
E3L033032
BDB033032
|
US11919855, Name NUCC-0202657
O=C(NC1CC(=O)N(Cc2ccccc2[N+](=O)[O-])C1)c1cccnc1
|
C17H16N4O4 340.339000 |
ANAIEMBPGYPJRU-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM656350; PubChem:CID166031105
|
Local ready
Direct docking supported
|
|
E3L033033
BDB033033
|
US11919855, Name NUCC-0202658
O=C(O)c1ccccc1C(=O)NC1CC(=O)N(Cc2ccccc2[N+](=O)[O-])C1
|
C19H17N3O6 383.360000 |
FSNGMJXARMJDPO-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM656375; PubChem:CID166031125
|
Local ready
Direct docking supported
|
|
E3L033034
BDB033034
|
US11919855, Name NUCC-0202659
N#Cc1cccc(C(=O)NC2CC(=O)N(Cc3ccccc3[N+](=O)[O-])C2)c1
|
C19H16N4O4 364.361000 |
GOAAGTUTAKFUPM-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM656376; PubChem:CID166031089
|
Local ready
Direct docking supported
|
|
E3L033035
BDB033035
|
US11919855, Name NUCC-0202660
COc1ccc(C)cc1C(=O)NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
|
C21H21F3N2O3 406.404000 |
ROQHAGMLUITSMV-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM656377; PubChem:CID166031138
|
Local ready
Direct docking supported
|
|
E3L033036
BDB033036
|
US11919855, Name NUCC-0202661
COc1cccc(CC(=O)NC2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1
|
C21H21F3N2O3 406.404000 |
YVZLQBAQAXZGDF-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM656378; PubChem:CID166031120
|
Local ready
Direct docking supported
|
|
E3L033037
BDB033037
|
US11919855, Name NUCC-0202662
Cc1c(C(=O)NC2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cccc1[N+](=O)[O-]
|
C20H18F3N3O4 421.375000 |
PPMCHQOIIKUKNW-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM656379; PubChem:CID166031131
|
Local ready
Direct docking supported
|
|
E3L033038
BDB033038
|
BDBM656380
O=C(NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cccnc1
|
C18H16F3N3O2 363.339000 |
XTKHXTWTHSXGOH-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM656380; PubChem:CID45236255
|
Local ready
Direct docking supported
|
|
E3L033039
BDB033039
|
US11919855, Name NUCC-0202666
O=C(O)c1ccccc1C(=O)NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
|
C20H17F3N2O4 406.360000 |
OXPFRMVJLLTZTE-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM656381; PubChem:CID166031149
|
Local ready
Direct docking supported
|
|
E3L033040
BDB033040
|
US11919855, Name NUCC-0202667
O=C(NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cccc(-c2ccccc2)c1
|
C25H21F3N2O2 438.449000 |
GTWWUNQYTJHWCH-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM656382; PubChem:CID166031099
|
Local ready
Direct docking supported
|