| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L021101
BDB021101
|
BDBM511603
COc1cc(C(=O)NCCCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C
|
C40H39N9O9 789.806000 |
VEVMVFJHHBEQSP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511603
|
Local ready
Direct docking supported
|
|
E3L021102
BDB021102
|
BDBM511604
COc1cc(C(=O)NCCCOCCOCCOCCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C
|
C46H51N9O12 921.965000 |
ISEZBLQKECWYJU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511604
|
Local ready
Direct docking supported
|
|
E3L021103
BDB021103
|
BDBM511605
Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NCC(=O)NCCCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1
|
C38H37N9O8 747.769000 |
LBBCBGBNFQQOSZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511605
|
Local ready
Direct docking supported
|
|
E3L021104
BDB021104
|
BDBM511606
Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NCC(=O)NCCCOCCOCCOCCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1
|
C44H49N9O11 879.928000 |
SVAAFCIDSHIIPD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511606
|
Local ready
Direct docking supported
|
|
E3L021105
BDB021105
|
BDBM511607
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCNC(=O)c1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2
|
C39H39ClN8O6S 783.311000 |
SYJHORXMXBZSSH-XLTVJXRZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511607
|
Local ready
Direct docking supported
|
|
E3L021106
BDB021106
|
BDBM511608
COc1cc(C(=O)NCCCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)ccc1Nc1ccc2c(n1)N(C1CCCC1)[C@H](C)C(=O)N2C
|
C41H46N8O9 794.866000 |
FXSJJVJXVNFIBU-WIZGVZBGSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511608
|
Local ready
Direct docking supported
|
|
E3L021107
BDB021107
|
BDBM511609
Cc1sc2c(c1C)C(c1ccc(C#N)cc1)=N[C@@H](CC(=O)NCCCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2
|
C39H37N9O7S 775.848000 |
IPNHNGIFOOJHDF-QBHOUYDASA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511609
|
Local ready
Direct docking supported
|
|
E3L021108
BDB021108
|
BDBM511610
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCN1CCN(C(=O)CCCCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)c1nnc(C)n1-2
|
C47H53ClN10O8S 953.523000 |
HMNJUXRTSGUSFM-CDRRMRQFSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511610
|
Local ready
Direct docking supported
|
|
E3L021109
BDB021109
|
BDBM511611
Cc1c(CC#N)sc2c1C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2
|
C39H36ClN9O7S 810.293000 |
KUZXNKUFLRZLHU-PMCHYTPCSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511611
|
Local ready
Direct docking supported
|
|
E3L021110
BDB021110
|
BDBM511612
Cc1cnc(Nc2ccc(N3CCN(C(=O)CCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1
|
C44H50N10O9S 895.012000 |
SZAPQKUIYSVIAG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511612
|
Local ready
Direct docking supported
|
|
E3L021111
BDB021111
|
BDBM511613
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCCCOc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2
|
C40H42ClN7O6S 784.339000 |
QYTHDSMOGXMOPE-XLTVJXRZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511613
|
Local ready
Direct docking supported
|
|
E3L021112
BDB021112
|
BDBM511614
COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C(=O)NCCCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c2C)-n2c(C)nnc21
|
C39H37ClN8O9S 829.292000 |
LPVPLMPEDJZWAQ-SKCDSABHSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511614
|
Local ready
Direct docking supported
|
|
E3L021113
BDB021113
|
dBET23
COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C(=O)NCCCCCCCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c2C)-n2c(C)nnc21
|
C43H45ClN8O9S 885.400000 |
ZIHIUFZFPMILIG-XLTVJXRZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM511615; PubChem:CID124190790
|
Local ready
Direct docking supported
|
|
E3L021114
BDB021114
|
BDBM511616
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2
|
C40H41ClN8O9S 845.335000 |
CVNPPCKNNCCUNH-MBMZGMDYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511616
|
Local ready
Direct docking supported
|
|
E3L021115
BDB021115
|
BDBM511617
COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C(=O)NCCCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)-n2c(C)nnc21
|
C39H37ClN8O9S 829.292000 |
CTQCRJBAHKVGBK-SKCDSABHSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511617
|
Local ready
Direct docking supported
|
|
E3L021116
BDB021116
|
BDBM511618
COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C(=O)NCCCCCCCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)-n2c(C)nnc21
|
C43H45ClN8O9S 885.400000 |
KNHZIKBDHRXJHX-XLTVJXRZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511618
|
Local ready
Direct docking supported
|
|
E3L021117
BDB021117
|
BDBM511619
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2
|
C36H34ClN7O7S 744.230000 |
QDFNBECATTWIIB-SKCDSABHSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511619
|
Local ready
Direct docking supported
|
|
E3L021118
BDB021118
|
BDBM511620
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCOc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2
|
C36H34ClN7O6S 728.231000 |
GMYRPILFZKTDJL-SKCDSABHSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511620
|
Local ready
Direct docking supported
|
|
E3L021119
BDB021119
|
BDBM511621
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCOc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2
|
C38H38ClN7O6S 756.285000 |
IWIUHSRVMHYMOY-QBHOUYDASA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511621
|
Local ready
Direct docking supported
|
|
E3L021120
BDB021120
|
BDBM511622
Cc1c(C(=O)NCCCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)sc2c1C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCN1CCN(C)CC1)c1nnc(C)n1-2
|
C46H52ClN11O8S 954.511000 |
BHWJDRNVPYLKBM-CYZZXXEPSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511622
|
Local ready
Direct docking supported
|