| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L039541
BDB039541
|
BDBM756538
CC1CN(Cc2cccc(-c3cnn(C)c3)c2)CCC12COc1c2ccc2c1CN(C1CCC(=O)NC1=O)C2=O
|
C31H33N5O4 539.636000 |
QEUAXMWPQSKZGW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756538; PubChem:CID169201362
|
Local ready
Direct docking supported
|
|
E3L039542
BDB039542
|
BDBM756540
O=C1CCC(N2Cc3c(ccc4c3OCC43CCN(Cc4ccccc4)CC3F)C2=O)C(=O)N1
|
C26H26FN3O4 463.509000 |
AGSHKVBITCPTLU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756540; PubChem:CID169201426
|
Local ready
Direct docking supported
|
|
E3L039543
BDB039543
|
BDBM756541
O=C1CC[C@H](N2Cc3c(ccc4c3OCC43CCN(Cc4ccc5c(c4)CC(=O)N5)CC3(F)F)C2=O)C(=O)N1
|
C28H26F2N4O5 536.535000 |
VVPHDNRZNIZGPS-LWAJAQLZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756541; PubChem:CID169201021
|
Local ready
Direct docking supported
|
|
E3L039544
BDB039544
|
BDBM756542
O=C1CC[C@H](N2Cc3c(ccc4c3OCC43CCN(Cc4cnn(S(=O)(=O)c5ccccc5Cl)c4)CC3(F)F)C2=O)C(=O)N1
|
C29H26ClF2N5O6S 646.072000 |
PVCYTIDXBZTJFO-XYXHBKGXSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756542; PubChem:CID169201357
|
Local ready
Direct docking supported
|
|
E3L039545
BDB039545
|
BDBM756543
O=C1CC[C@H](N2Cc3c(ccc4c3OCC43CCN(Cc4cnn(-c5ccc(Cl)cc5)c4)CC3(F)F)C2=O)C(=O)N1
|
C29H26ClF2N5O4 582.007000 |
NACIRLLPBBQLHE-UHFKCPIBSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756543; PubChem:CID169201046
|
Local ready
Direct docking supported
|
|
E3L039546
BDB039546
|
BDBM756544
O=C1CC[C@H](N2Cc3c(ccc4c3OCC43CCN(Cc4ccc5c(c4)C(=O)NC5)CC3(F)F)C2=O)C(=O)N1
|
C28H26F2N4O5 536.535000 |
UMAKAQANPAFFCV-LWAJAQLZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756544; PubChem:CID169201130
|
Local ready
Direct docking supported
|
|
E3L039547
BDB039547
|
BDBM756545
O=C1CC[C@H](N2Cc3c(ccc4c3OCC43CCN(Cc4cccc(-c5cnn(C6COC6)c5)c4)CC3(F)F)C2=O)C(=O)N1
|
C32H31F2N5O5 603.626000 |
RHDIVMCHRCZEIJ-PAMMARIWSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756545; PubChem:CID169201176
|
Local ready
Direct docking supported
|
|
E3L039548
BDB039548
|
BDBM756546
O=C1CC[C@H](N2Cc3c(ccc4c3OCC43CCN(Cc4ccc5cn[nH]c5c4)CC3(F)F)C2=O)C(=O)N1
|
C27H25F2N5O4 521.524000 |
BIQMYDRWYHNKBI-GVNKFJBHSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756546; PubChem:CID169201420
|
Local ready
Direct docking supported
|
|
E3L039549
BDB039549
|
BDBM756547
Cn1ncc2ccc(CN3CCC4(COc5c4ccc4c5CN([C@H]5CCC(=O)NC5=O)C4=O)C(F)(F)C3)cc21
|
C28H27F2N5O4 535.551000 |
JFGMFJYMHFOKDC-LWAJAQLZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756547; PubChem:CID169201282
|
Local ready
Direct docking supported
|
|
E3L039550
BDB039550
|
BDBM756548
Cn1cc2ccc(CN3CCC4(COc5c4ccc4c5CN([C@H]5CCC(=O)NC5=O)C4=O)C(F)(F)C3)cc2n1
|
C28H27F2N5O4 535.551000 |
JEHRRHZSAUHXOB-YMQLSTQVSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756548; PubChem:CID169201216
|
Local ready
Direct docking supported
|
|
E3L039551
BDB039551
|
BDBM756549
Cn1cc2cccc(CN3CCC4(COc5c4ccc4c5CN([C@H]5CCC(=O)NC5=O)C4=O)C(F)(F)C3)c2n1
|
C28H27F2N5O4 535.551000 |
CKCQVEFPZWMOIZ-LWAJAQLZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756549; PubChem:CID169201385
|
Local ready
Direct docking supported
|
|
E3L039552
BDB039552
|
BDBM756550
Cn1cc2cc(CN3CCC4(COc5c4ccc4c5CN([C@H]5CCC(=O)NC5=O)C4=O)C(F)(F)C3)ccc2n1
|
C28H27F2N5O4 535.551000 |
HTLGQORUCKJOIY-YMQLSTQVSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756550; PubChem:CID169201030
|
Local ready
Direct docking supported
|
|
E3L039553
BDB039553
|
BDBM756551
Cn1ncc2cc(CN3CCC4(COc5c4ccc4c5CN([C@H]5CCC(=O)NC5=O)C4=O)C(F)(F)C3)ccc21
|
C28H27F2N5O4 535.551000 |
MVNOGUMCLWQOEH-YMQLSTQVSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756551; PubChem:CID169201440
|
Local ready
Direct docking supported
|
|
E3L039554
BDB039554
|
BDBM756552
Cn1cc(-c2cccc(CN3CCC4(COc5c4ccc4c5CN([C@H]5CCC(=O)NC5=O)C4=O)C(F)(F)C3)c2)cn1
|
C30H29F2N5O4 561.589000 |
NNEXECMHLRTZPN-CTLOQAHHSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756552; PubChem:CID169201325
|
Local ready
Direct docking supported
|
|
E3L039555
BDB039555
|
BDBM756554
O=C1CC[C@H](N2Cc3c(ccc4c3OCC43CCN(Cc4ccc5[nH]ncc5c4)CC3(F)F)C2=O)C(=O)N1
|
C27H25F2N5O4 521.524000 |
PHQKIZCUOOZENB-GVNKFJBHSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756554; PubChem:CID169201096
|
Local ready
Direct docking supported
|
|
E3L039556
BDB039556
|
BDBM756555
O=C1CC[C@H](N2Cc3c(ccc4c3OCC43CCN(Cc4cccc5[nH]ncc45)CC3(F)F)C2=O)C(=O)N1
|
C27H25F2N5O4 521.524000 |
ZLZPPHMRQIVBHX-GVNKFJBHSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756555; PubChem:CID169201091
|
Local ready
Direct docking supported
|
|
E3L039557
BDB039557
|
BDBM756556
Cn1cc2c(CN3CCC4(COc5c4ccc4c5CN([C@H]5CCC(=O)NC5=O)C4=O)C(F)(F)C3)cccc2n1
|
C28H27F2N5O4 535.551000 |
BJZJREUQJJKWAC-YMQLSTQVSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756556; PubChem:CID169201243
|
Local ready
Direct docking supported
|
|
E3L039558
BDB039558
|
BDBM756557
Cn1ncc2c(CN3CCC4(COc5c4ccc4c5CN([C@H]5CCC(=O)NC5=O)C4=O)C(F)(F)C3)cccc21
|
C28H27F2N5O4 535.551000 |
VRHFEZPODCIFFE-YMQLSTQVSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756557; PubChem:CID169201404
|
Local ready
Direct docking supported
|
|
E3L039559
BDB039559
|
BDBM756558
O=C1CC[C@H](N2Cc3c(ccc4c3OCC43CCN(Cc4cccc5cn[nH]c45)CC3(F)F)C2=O)C(=O)N1
|
C27H25F2N5O4 521.524000 |
VTYXEEHOQCVELO-DQUNLGLBSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756558; PubChem:CID169201196
|
Local ready
Direct docking supported
|
|
E3L039560
BDB039560
|
BDBM756559
Cn1ncc2cccc(CN3CCC4(COc5c4ccc4c5CN([C@H]5CCC(=O)NC5=O)C4=O)C(F)(F)C3)c21
|
C28H27F2N5O4 535.551000 |
ZWPMNPGHRNAUNI-LWAJAQLZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756559; PubChem:CID169201163
|
Local ready
Direct docking supported
|