| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031621
BDB031621
|
BDBM631133
CN(C(=O)N1CCc2ccccc21)[C@@H]1CCC(=O)NC1=O
|
C15H17N3O3 287.319000 |
QNKWDLBTSYDRHK-GFCCVEGCSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631133; PubChem:CID151615611
|
Local ready
Direct docking supported
|
|
E3L031622
BDB031622
|
US11802131, Example 61
O=C1CC[C@H](NC(=O)Cc2cccnc2)C(=O)N1
|
C12H13N3O3 247.254000 |
JGMCYGUIFQEYNM-VIFPVBQESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631134; PubChem:CID137533626
|
Local ready
Direct docking supported
|
|
E3L031623
BDB031623
|
US11802131, Example 62
CN(C(=O)N1CCc2cccnc21)C1CCC(=O)NC1=O
|
C14H16N4O3 288.307000 |
YCOBKVMLPJTNOT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631135; PubChem:CID137526760
|
Local ready
Direct docking supported
|
|
E3L031624
BDB031624
|
US11802131, Example 63
O=C1CC[C@@H](NC(=O)Cc2cccnc2)C(=O)N1
|
C12H13N3O3 247.254000 |
JGMCYGUIFQEYNM-SECBINFHSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631136; PubChem:CID137533637
|
Local ready
Direct docking supported
|
|
E3L031625
BDB031625
|
US11802131, Example 64
O=C1CC[C@@H](NC(=O)N2CCCc3cccnc32)C(=O)N1
|
C14H16N4O3 288.307000 |
JNFKCVUMZWHHQP-SNVBAGLBSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631137; PubChem:CID154591723
|
Local ready
Direct docking supported
|
|
E3L031626
BDB031626
|
US11802131, Example 65
CC(=O)Nc1ccc(CC(=O)N[C@H]2CCC(=O)NC2=O)cc1
|
C15H17N3O4 303.318000 |
RYWJERYZHMTVLN-LBPRGKRZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631138; PubChem:CID137533628
|
Local ready
Direct docking supported
|
|
E3L031627
BDB031627
|
US11802131, Example 66
CC(=O)Nc1ccc(CC(=O)N[C@@H]2CCC(=O)NC2=O)cc1
|
C15H17N3O4 303.318000 |
RYWJERYZHMTVLN-GFCCVEGCSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631139; PubChem:CID137533659
|
Local ready
Direct docking supported
|
|
E3L031628
BDB031628
|
US11802131, Example 67
CC(=O)Nc1cccc(CC(=O)N[C@@H]2CCC(=O)NC2=O)c1
|
C15H17N3O4 303.318000 |
KNOXBHGZJRRGEG-GFCCVEGCSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631140; PubChem:CID137533631
|
Local ready
Direct docking supported
|
|
E3L031629
BDB031629
|
US11802131, Example 68
CC(=O)Nc1cccc(CC(=O)N[C@H]2CCC(=O)NC2=O)c1
|
C15H17N3O4 303.318000 |
KNOXBHGZJRRGEG-LBPRGKRZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631141; PubChem:CID137533594
|
Local ready
Direct docking supported
|
|
E3L031630
BDB031630
|
US11802131, Example 69
O=C1CC[C@H](NC(=O)Cc2ccc3c(c2)CC(=O)N3)C(=O)N1
|
C15H15N3O4 301.302000 |
MIWPDHSPCQNWKP-NSHDSACASA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631142; PubChem:CID137533609
|
Local ready
Direct docking supported
|
|
E3L031631
BDB031631
|
US11802131, Example 70
O=C1CC[C@@H](NC(=O)Cc2ccc3c(c2)CC(=O)N3)C(=O)N1
|
C15H15N3O4 301.302000 |
MIWPDHSPCQNWKP-LLVKDONJSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631143; PubChem:CID154591725
|
Local ready
Direct docking supported
|
|
E3L031632
BDB031632
|
US11802131, Example 71
Cn1nc(C(=O)N[C@H]2CCC(=O)NC2=O)c2c1CCN(C(=O)OC(C)(C)C)C2
|
C18H25N5O5 391.428000 |
JROFNEPHRJSWLC-NSHDSACASA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631144; PubChem:CID150729569
|
Local ready
Direct docking supported
|
|
E3L031633
BDB031633
|
BDBM631145
Cn1nc(C(=O)N[C@H]2CCC(=O)NC2=O)c2c1CCNC2
|
C13H17N5O3 291.311000 |
HBTFWBKPBZUTOJ-QMMMGPOBSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631145; PubChem:CID150391238
|
Local ready
Direct docking supported
|
|
E3L031634
BDB031634
|
US11802131, Example 73
CN1C(=O)CCC(NC(=O)[C@H]2CCCc3ccccc32)C1=O
|
C17H20N2O3 300.358000 |
HQDMUGFDSMUBCS-LSLKUGRBSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631146; PubChem:CID137533650
|
Local ready
Direct docking supported
|
|
E3L031635
BDB031635
|
US11802131, Example 73
CN1C(=O)CCC(NC(=O)[C@H]2CCCc3ccccc32)C1=O
|
C17H20N2O3 300.358000 |
HQDMUGFDSMUBCS-LSLKUGRBSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631148; PubChem:CID137533650
|
Local ready
Direct docking supported
|
|
E3L031636
BDB031636
|
US11802131, Example A
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCC(=O)N1CC[C@H](C(=O)N[C@H]3CCC(=O)NC3=O)c3ccccc31)c1nnc(C)n1-2
|
C40H43ClN8O5S 783.355000 |
UXEKZSACSSTXNV-DTXPUJKBSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631149; PubChem:CID142535905
|
Local ready
Direct docking supported
|
|
E3L031637
BDB031637
|
US11802131, Example B
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCC(=O)N1CC[C@H](C(=O)N[C@@H]3CCC(=O)NC3=O)c3ccccc31)c1nnc(C)n1-2
|
C40H43ClN8O5S 783.355000 |
UXEKZSACSSTXNV-JBOQNHBVSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631150; PubChem:CID154591727
|
Local ready
Direct docking supported
|
|
E3L031638
BDB031638
|
US11802131, Example C
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOCCOCC(=O)N1CC[C@@H](C(=O)N[C@H]3CCC(=O)NC3=O)c3ccccc31)c1nnc(C)n1-2
|
C42H47ClN8O8S 859.406000 |
OYPYVJUTCQQGQG-RTOKGZNSSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631151; PubChem:CID154591735
|
Local ready
Direct docking supported
|
|
E3L031639
BDB031639
|
BDBM633215
CNC(=O)c1ccc(N2CCN(Cc3cc(F)c4c5c(c(=O)[nH]c4c3)CCO5)CC2)c(F)n1
|
C23H23F2N5O3 455.465000 |
JPJCBEDCLSAAGQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM633215
|
Local ready
Direct docking supported
|
|
E3L031640
BDB031640
|
BDBM633216
CNC(=O)c1ccc(N2CCN(Cc3cc(F)c4c5c(c(=O)[nH]c4c3)CCC5)CC2)c(F)n1
|
C24H25F2N5O2 453.493000 |
CPBLDVOTAWHPHS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM633216; PubChem:CID168982808
|
Local ready
Direct docking supported
|