| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L037921
BDB037921
|
BDBM743448
COC(=O)c1ccccc1C(=O)N1CC2(CC(=O)NC2=O)C1
|
C15H14N2O5 302.286000 |
RGDDZUBJQWLNJL-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM743448; PubChem:CID176734191
|
Local ready
Direct docking supported
|
|
E3L037922
BDB037922
|
BDBM743449
CN(C)C(=O)c1sccc1C(=O)N1CC2(CC(=O)NC2=O)C1
|
C14H15N3O4S 321.358000 |
VSRNXOIQPTYQMJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM743449; PubChem:CID176734192
|
Local ready
Direct docking supported
|
|
E3L037923
BDB037923
|
BDBM743450
CN(C)Cc1[nH]c2ccccc2c1C(=O)N1CC2(CC(=O)NC2=O)C1
|
C18H20N4O3 340.383000 |
XJINZHIOUBYOIF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM743450; PubChem:CID176734193
|
Local ready
Direct docking supported
|
|
E3L037924
BDB037924
|
BDBM743451
CN(C)C(=O)c1[nH]c2ccccc2c1CN1CC2(CC(=O)NC2=O)C1
|
C18H20N4O3 340.383000 |
INKWKBFKGWFWSK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM743451; PubChem:CID176734194
|
Local ready
Direct docking supported
|
|
E3L037925
BDB037925
|
BDBM743452
CN(C)C(=O)c1sc2ccccc2c1CN1CC2(CC(=O)NC2=O)C1
|
C18H19N3O3S 357.435000 |
TYGIXGUEHZEIQM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM743452; PubChem:CID176734195
|
Local ready
Direct docking supported
|
|
E3L037926
BDB037926
|
BDBM743453
CN(C)C(=O)c1c(C(=O)N2CC3(CC(=O)NC3=O)C2)c2ccccc2n1C
|
C19H20N4O4 368.393000 |
TXDKGNWWKPGJMX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM743453; PubChem:CID176734196
|
Local ready
Direct docking supported
|
|
E3L037927
BDB037927
|
BDBM743455
CN(C)C(=O)c1oc2ccccc2c1C(=O)N1CC2(CC(=O)NC2=O)C1
|
C18H17N3O5 355.350000 |
JBKXYRUORCLFAL-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM743455; PubChem:CID176734197
|
Local ready
Direct docking supported
|
|
E3L037928
BDB037928
|
US12310975, Example 62
CNC(=O)COc1cc2cc(Nc3nc(N4CCC(OCCOCCOCCOCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)CC4)ncc3Cl)ccc2n(C)c1=O
|
C45H55ClN8O12 935.432000 |
TXHYKNFVTJGVCC-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM743615; PubChem:CID176371131
|
Local ready
Direct docking supported
|
|
E3L037929
BDB037929
|
US12310975, Example 104
CNC(=O)COc1cc2cc(Nc3nc(N4CCC(CN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)ncc3Cl)ccc2n(C)c1=O
|
C40H43ClN10O7 811.300000 |
REAZTBHWFATGQD-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM743616; PubChem:CID156278329
|
Local ready
Direct docking supported
|
|
E3L037930
BDB037930
|
US12310975, Example 119
CNC(=O)COc1cc2cc(Nc3nc(N4CCC(OCCN5CCN(Cc6ccc(C#Cc7ccc8c(c7)CN(C7CCC(=O)NC7=O)C8=O)cc6)CC5)CC4)ncc3Cl)ccc2n(C)c1=O
|
C50H53ClN10O7 941.490000 |
GMJDTEUPZRVCBT-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM743617; PubChem:CID156278476
|
Local ready
Direct docking supported
|
|
E3L037931
BDB037931
|
US12310975, Example 127
CNC(=O)COc1cc2cc(Nc3nc(N4CCCC(COc5ccc(C6CCN(CCC(O)c7ccc8c(c7)CN(C7CCC(=O)NC7=O)C8=O)CC6)cc5)C4)ncc3Cl)ccc2n(C)c1=O
|
C50H56ClN9O8 946.506000 |
LCAFDBMQDOCANZ-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM743618; PubChem:CID156278380
|
Local ready
Direct docking supported
|
|
E3L037932
BDB037932
|
US12310975, Example 128
CC(=O)COc1cc2cc(Nc3nc(N4CCC(OCCN5CCN(c6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)CC5)CC4)ncc3Cl)ccc2n(C)c1=O
|
C41H46ClN9O7 812.328000 |
DBSDKTRBZVQXET-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM743619; PubChem:CID156292288
|
Local ready
Direct docking supported
|
|
E3L037933
BDB037933
|
US12310975, Example 137
CC(=O)COc1cc2cc(Nc3nc(N4CCN(CCCN5CCN(c6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)CC5)CC4)ncc3Cl)ccc2n(C)c1=O
|
C41H47ClN10O6 811.344000 |
CDUZANRATWUHMR-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM743620; PubChem:CID156293070
|
Local ready
Direct docking supported
|
|
E3L037934
BDB037934
|
US12310975, Example 138
CNC(=O)COc1cc2cc(Nc3nc(N4CCC(N(C)C5CCN(CC6CCN(c7ccc(C#Cc8ccc9c(c8)CN(C8CCC(=O)NC8=O)C9=O)cc7)CC6)CC5)CC4)ncc3Cl)ccc2n(C)c1=O
|
C55H62ClN11O6 1008.625000 |
KSKDCOWLWLYKII-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM743621; PubChem:CID156293068
|
Local ready
Direct docking supported
|
|
E3L037935
BDB037935
|
US12310975, Example 148
CC(=O)COc1cc2cc(Nc3nc(N4CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)ncc3Cl)ccc2n(C)c1=O
|
C40H42ClN9O7 796.285000 |
IMNYLJSAJNHVJS-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM743622; PubChem:CID156293069
|
Local ready
Direct docking supported
|
|
E3L037936
BDB037936
|
US12310975, Example 149
Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3nc(N4CCC(CN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)ncc3Cl)ccc21
|
C40H47ClN10O6 799.333000 |
FGMHZDHNXNHXAT-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM743623; PubChem:CID156278522
|
Local ready
Direct docking supported
|
|
E3L037937
BDB037937
|
US12310975, Example 150
Cn1c(=O)ccc2cc(Nc3nc(N4CCC(CN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)ncc3Cl)ccc21
|
C37H38ClN9O5 724.222000 |
XTVTXOONOHILSX-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM743624; PubChem:CID176370980
|
Local ready
Direct docking supported
|
|
E3L037938
BDB037938
|
US12310975, Example 151
CNC(=O)COc1cc2cc(Nc3nc(N4CCC(CN5CCN(c6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)CC5)CC4)ncc3Cl)ccc2n(C)c1=O
|
C40H45ClN10O6 797.317000 |
OYYJPHAVGBKMTQ-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM743625; PubChem:CID156292835
|
Local ready
Direct docking supported
|
|
E3L037939
BDB037939
|
US12310975, Example 152
CC(=O)COc1cc2cc(Nc3nc(N4CCC(CN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)ncc3Cl)ccc2n(C)c1=O
|
C40H42ClN9O7 796.285000 |
YIXHAZYBTMCRDB-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM743626; PubChem:CID156292552
|
Local ready
Direct docking supported
|
|
E3L037940
BDB037940
|
US12310975, Example 153
CC(=O)COc1cc2cc(Nc3nc(N4CCC(C(=O)N5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)ncc3Cl)ccc2n(C)c1=O
|
C40H40ClN9O8 810.268000 |
XFIYAINVBYASKG-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM743627; PubChem:CID156292834
|
Local ready
Direct docking supported
|