| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L034081
BDB034081
|
US12012467, Example 54
CCC(=O)N[C@@H](Cc1nc2ccc(C(C)C)cc2s1)C(=O)N[C@@H](C)CN
|
C19H28N4O2S 376.526000 |
KBKBYGMYMMULQV-WFASDCNBSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM681150; PubChem:CID135347877
|
Local ready
Direct docking supported
|
|
E3L034082
BDB034082
|
US12012467, Example 48
CC[C@H](C)[C@@H](CN)NC(=O)[C@H](Cc1nc2ccc(C(C)C)cc2s1)NC=O
|
C20H30N4O2S 390.553000 |
LSSQAPCEJHYVIY-RRQGHBQHSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM681151; PubChem:CID135347933
|
Local ready
Direct docking supported
|
|
E3L034083
BDB034083
|
US12012467, Example 49
CC[C@H](C)[C@@H](CN)NC(=O)[C@@H](N)Cc1nc2ccc(C(C)C)cc2s1
|
C19H30N4OS 362.543000 |
UMSTVLDBAJDDFX-DUVNUKRYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM681152; PubChem:CID135347861
|
Local ready
Direct docking supported
|
|
E3L034084
BDB034084
|
US12012467, Example 50
CC[C@H](C)[C@@H](CN)NC(=O)[C@H](Cc1nc2ccc(C(C)C)cc2s1)NC(=O)C(C)C
|
C23H36N4O2S 432.634000 |
JVMBXACGLCDAIX-ZYSHUDEJSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM681153; PubChem:CID142442568
|
Local ready
Direct docking supported
|
|
E3L034085
BDB034085
|
US12012467, Example 51
CCCC(=O)N[C@@H](Cc1nc2ccc(C(C)C)cc2s1)C(=O)N[C@H](CN)[C@@H](C)CC
|
C23H36N4O2S 432.634000 |
VPENCKMGYSRPGZ-ZYSHUDEJSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM681154; PubChem:CID135348168
|
Local ready
Direct docking supported
|
|
E3L034086
BDB034086
|
US12012467, Example 52
CC[C@H](C)[C@@H](CN)NC(=O)[C@H](Cc1nc2ccc(C(C)C)cc2s1)NC(=O)NC
|
C21H33N5O2S 419.595000 |
UDWIUGFGTQQHHY-RRQGHBQHSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM681155; PubChem:CID135348265
|
Local ready
Direct docking supported
|
|
E3L034087
BDB034087
|
US12012467, Example 125
CCC(=O)N[C@@H](Cc1nc2ccc(C(C)C)cc2s1)C(=O)N[C@H](CNC(=O)C1CCN(C2CCOCC2)CC1)C1CCCCC1
|
C35H53N5O4S 639.907000 |
DFKYQPOWOISVFD-XZWHSSHBSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM681156; PubChem:CID171991138
|
Local ready
Direct docking supported
|
|
E3L034088
BDB034088
|
US20240207267, Example 2
CCO/C=C/c1cc(F)c([C@@H]2CCC(=O)NC2=O)c(F)c1
|
C15H15F2NO3 295.285000 |
LGMZBMPWPSWOCK-PORFMDCZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM682235; PubChem:CID167264505
|
Local ready
Direct docking supported
|
|
E3L034089
BDB034089
|
US20240207267, Example 5
O=C1CC[C@H](c2c(F)cc(CN3CC[C@@H](C(=O)O)C3)cc2F)C(=O)N1
|
C17H18F2N2O4 352.337000 |
SYARSCKFWDLBLM-GHMZBOCLSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM682236; PubChem:CID172055788
|
Local ready
Direct docking supported
|
|
E3L034090
BDB034090
|
US20240207267, Example 6
O=C1CC[C@@H](c2c(F)cc(CN3CC[C@@H](C(=O)O)C3)cc2F)C(=O)N1
|
C17H18F2N2O4 352.337000 |
SYARSCKFWDLBLM-MNOVXSKESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM682237; PubChem:CID172055789
|
Local ready
Direct docking supported
|
|
E3L034091
BDB034091
|
US20240207267, Example 7
O=C1CC[C@H](c2c(F)cc(N3CC[C@@H](CO)C3)cc2F)C(=O)N1
|
C16H18F2N2O3 324.327000 |
MWJKFQNOTIMGAR-MWLCHTKSSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM682238; PubChem:CID167264507
|
Local ready
Direct docking supported
|
|
E3L034092
BDB034092
|
US20240207267, Example 9
O=C1CC[C@H](c2c(F)cc(N3CC(CO)C3)cc2F)C(=O)N1
|
C15H16F2N2O3 310.300000 |
NNWGGPWDAGWZAT-SNVBAGLBSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM682239; PubChem:CID170185524
|
Local ready
Direct docking supported
|
|
E3L034093
BDB034093
|
US20240207267, Example 12
O=C1CC[C@H](c2c(F)cc(N3CC[C@@H](C(=O)O)C3)cc2F)C(=O)N1
|
C16H16F2N2O4 338.310000 |
GBOBMTABXQTYBE-PSASIEDQSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM682240; PubChem:CID166067665
|
Local ready
Direct docking supported
|
|
E3L034094
BDB034094
|
US20240207267, Example 13
CCO/C=C/c1cc(F)c([C@H]2CCC(=O)NC2=O)c(F)c1
|
C15H15F2NO3 295.285000 |
LGMZBMPWPSWOCK-BRAIEQGRSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM682241; PubChem:CID163739483
|
Local ready
Direct docking supported
|
|
E3L034095
BDB034095
|
US20240207267, Example 14
CC1(C)CN(c2cc(F)c([C@H]3CCC(=O)NC3=O)c(F)c2)C[C@H]1C(=O)O
|
C18H20F2N2O4 366.364000 |
COJWIIXXISPSKO-MNOVXSKESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM682242; PubChem:CID167264508
|
Local ready
Direct docking supported
|
|
E3L034096
BDB034096
|
3-(4-(2-Hydroxyethyl)phenyl)piperidine-2,6-dione
O=C1CCC(c2ccc(CCO)cc2)C(=O)N1
|
C13H15NO3 233.267000 |
TYKAMJNGHVMWDX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM682243; PubChem:CID166947772
|
Local ready
Direct docking supported
|
|
E3L034097
BDB034097
|
BDBM682657
O=C(c1ccc(O[C@H]2CCNC2)c(C2CCCCC2)c1)N1CCC(Oc2cc(F)cc(N3CCNCC3)c2)CC1
|
C32H43FN4O3 550.719000 |
KERGUDBBTHPPMM-NDEPHWFRSA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM682657; PubChem:CID153567988
|
Local ready
Direct docking supported
|
|
E3L034098
BDB034098
|
BDBM682658
O=C(c1ccc(O[C@H]2CCNC2)c(C2CCCCC2)c1)N1CCC(Oc2cc(F)cc(N3CC4(CCNCC4)C3)c2)CC1
|
C35H47FN4O3 590.784000 |
PXIDXDQBKKUSTR-PMERELPUSA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM682658; PubChem:CID166087230
|
Local ready
Direct docking supported
|
|
E3L034099
BDB034099
|
BDBM682659
O=C(c1ccc(O[C@H]2CCNC2)c(C2CCCCC2)c1)N1CCC(Oc2cc(F)cc(N3CCC4(CC3)CNC4)c2)CC1
|
C35H47FN4O3 590.784000 |
YASVMCFEHWYVPC-PMERELPUSA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM682659; PubChem:CID166087172
|
Local ready
Direct docking supported
|
|
E3L034100
BDB034100
|
BDBM682660
O=C(c1ccc(O[C@H]2CCNC2)c(C2CCCCC2)c1)N1CCC(Oc2cc(F)cc(N3C[C@H]4CNC[C@H]4C3)c2)CC1
|
C34H45FN4O3 576.757000 |
ZKPQVMMRDYGEDG-MWSYKCOMSA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM682660; PubChem:CID171346057
|
Local ready
Direct docking supported
|