| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020221
BDB020221
|
US10849982, Compd # 44
CC(C)(C)OC(=O)N1CCN(C(=O)CC2CCC(=O)NC2=O)CC1
|
C16H25N3O5 339.392000 |
LMTVLOMSRVABIQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM475133; PubChem:CID132117808
|
Local ready
Direct docking supported
|
|
E3L020222
BDB020222
|
US10849982, Compd # 46
Cc1nc(C2CCC(=O)NC2=O)cn1-c1ccccc1
|
C15H15N3O2 269.304000 |
APOALQRPCDUEII-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM475134; PubChem:CID132117833
|
Local ready
Direct docking supported
|
|
E3L020223
BDB020223
|
US10849982, Compd # 47
Cn1nc(C2(C)CCC(=O)NC2=O)c2ccccc21
|
C14H15N3O2 257.293000 |
LMRPGQCRVBWLBC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM475135; PubChem:CID132117530
|
Local ready
Direct docking supported
|
|
E3L020224
BDB020224
|
US10849982, Compd # 48
Cc1nc2cc(C3CCC(=O)NC3=O)ccc2s1
|
C13H12N2O2S 260.318000 |
GBMJQYZCVYJRJR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM475136; PubChem:CID132117865
|
Local ready
Direct docking supported
|
|
E3L020225
BDB020225
|
US10849982, Compd # 49
Cn1c(=O)oc2ccc(C3CCC(=O)NC3=O)cc21
|
C13H12N2O4 260.249000 |
LSYHSZYWCULKIF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM475137; PubChem:CID132118095
|
Local ready
Direct docking supported
|
|
E3L020226
BDB020226
|
3-Benzylpiperidine-2,6-dione
O=C1CCC(Cc2ccccc2)C(=O)N1
|
C12H13NO2 203.241000 |
YMEUOMXAEBYIPR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM475138; PubChem:CID14531158
|
Local ready
Direct docking supported
|
|
E3L020227
BDB020227
|
US10849982, Compd # 52
Cn1nc(C2CCC(=O)NC2=O)c2ccc(NC3CCN(C(=O)OC(C)(C)C)CC3)cc21
|
C23H31N5O4 441.532000 |
KQMOIYUUTCPSCK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM475140; PubChem:CID138461034
|
Local ready
Direct docking supported
|
|
E3L020228
BDB020228
|
BDBM475141
Cn1nc(C2CCC(=O)NC2=O)c2ccc(NC3CCNCC3)cc21
|
C18H23N5O2 341.415000 |
DLGVDMLBTJKEOF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM475141; PubChem:CID132117660
|
Local ready
Direct docking supported
|
|
E3L020229
BDB020229
|
BDBM475142
CC(C)(C)OC(=O)N1Cc2ccc(C3CCC(=O)NC3=O)cc2C1
|
C18H22N2O4 330.384000 |
CVECFSMRZCNOJU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM475142; PubChem:CID132117535
|
Local ready
Direct docking supported
|
|
E3L020230
BDB020230
|
3-(2,3-dihydro-1H-isoindol-5-yl)piperidine-2,6-dione
O=C1CCC(c2ccc3c(c2)CNC3)C(=O)N1
|
C13H14N2O2 230.267000 |
NHWRABPYJFGJDP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM475143; PubChem:CID132118029
|
Local ready
Direct docking supported
|
|
E3L020231
BDB020231
|
3-(4-Pyridyl)piperidine-2,6-dione
O=C1CCC(c2ccncc2)C(=O)N1
|
C10H10N2O2 190.202000 |
CNROKYVBRZOPCY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM475144; PubChem:CID57219347
|
Local ready
Direct docking supported
|
|
E3L020232
BDB020232
|
3-(Pyridin-2-yl)piperidine-2,6-dione
O=C1CCC(c2ccccn2)C(=O)N1
|
C10H10N2O2 190.202000 |
SHHDFKPIDQTXOD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM475145; PubChem:CID129721444
|
Local ready
Direct docking supported
|
|
E3L020233
BDB020233
|
3-(1-isoquinolinyl)-2,6-Piperidinedione
O=C1CCC(c2nccc3ccccc23)C(=O)N1
|
C14H12N2O2 240.262000 |
UCQWZCAYJCEIKT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM475146; PubChem:CID132117739
|
Local ready
Direct docking supported
|
|
E3L020234
BDB020234
|
BDBM475147
Cn1cccc(C2CCC(=O)NC2=O)c1=O
|
C11H12N2O3 220.228000 |
MBXGCZBBIUNNHV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM475147; PubChem:CID132117793
|
Local ready
Direct docking supported
|
|
E3L020235
BDB020235
|
Benzyl 3-hydroxy-2,6-dioxopiperidine-3-carboxylate
O=C1CCC(O)(C(=O)OCc2ccccc2)C(=O)N1
|
C13H13NO5 263.249000 |
RAMVFGLMDRWNPQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM475148; PubChem:CID132118163
|
Local ready
Direct docking supported
|
|
E3L020236
BDB020236
|
US10849982, Compd # 61
Cc1nc(C2CCC(=O)NC2=O)n2ccccc12
|
C13H13N3O2 243.266000 |
HNPFQIYHDYVQAX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM475149; PubChem:CID132117964
|
Local ready
Direct docking supported
|
|
E3L020237
BDB020237
|
US10849982, Compd # 62
Cn1c(C2CCC(=O)NC2=O)nc2ccccc21
|
C13H13N3O2 243.266000 |
CLJHQRZZVJSRDZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM475150; PubChem:CID132117724
|
Local ready
Direct docking supported
|
|
E3L020238
BDB020238
|
3-(1-phenyl-1H-imidazol-4-yl)-2,6-Piperidinedione
O=C1CCC(c2cn(-c3ccccc3)cn2)C(=O)N1
|
C14H13N3O2 255.277000 |
FNSNDVXBUGHTCR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM475152; PubChem:CID132117650
|
Local ready
Direct docking supported
|
|
E3L020239
BDB020239
|
US10849982, Compd # Degro-nimer 1
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCCC(=O)Nc1ccc3c(C4CCC(=O)NC4=O)nn(C)c3c1)c1nnc(C)n1-2
|
C40H44ClN9O4S 782.371000 |
NHKLMHKIWXSVRA-ZSXSBBPPSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM475153; PubChem:CID132117773
|
Local ready
Direct docking supported
|
|
E3L020240
BDB020240
|
US10875851, Example 1
O=C(NCc1cccs1)[C@@H]1CN(C(=O)Oc2ccccc2Cl)CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1
|
C32H43ClN4O4S 615.240000 |
RTQXVZKOBHSMPO-IZLXSDGUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476344; PubChem:CID146263633
|
Local ready
Direct docking supported
|