| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L034541
BDB034541
|
BDBM694616
C[C@@H]1C[C@@H](CCC(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)N(c2cc(C(F)(F)F)c(=O)[nH]n2)C1
|
C22H25F6N7O2 533.477000 |
DXFARVNRLJXDDA-UKRRQHHQSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694616; PubChem:CID167229044
|
Local ready
Direct docking supported
|
|
E3L034542
BDB034542
|
BDBM694617
C[C@H]1CC(CCC(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)N(c2cc(C(F)(F)F)c(=O)[nH]n2)C1
|
C22H25F6N7O2 533.477000 |
DXFARVNRLJXDDA-CFMCSPIPSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694617; PubChem:CID172637797
|
Local ready
Direct docking supported
|
|
E3L034543
BDB034543
|
BDBM694618
O=C(CC[C@@H]1C[C@@H](O)CN1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
|
C21H23F6N7O3 535.449000 |
IRXHYIYBIYVZMS-ZIAGYGMSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694618; PubChem:CID167229132
|
Local ready
Direct docking supported
|
|
E3L034544
BDB034544
|
BDBM694619
CN(C)[C@H]1C[C@@H](CCC(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)N(c2cc(C(F)(F)F)c(=O)[nH]n2)C1
|
C23H28F6N8O2 562.519000 |
OORVLKKZQATWIA-CVEARBPZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694619; PubChem:CID167229188
|
Local ready
Direct docking supported
|
|
E3L034545
BDB034545
|
BDBM694620
O=C(CC[C@@H]1C[C@@H](N2CCOCC2)CN1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
|
C25H30F6N8O3 604.556000 |
SAJUIWASIJXNSM-QZTJIDSGSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694620; PubChem:CID167229043
|
Local ready
Direct docking supported
|
|
E3L034546
BDB034546
|
BDBM694621
CO[C@H]1C[C@@H](CCC(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)N(c2cc(C(F)(F)F)c(=O)[nH]n2)C1
|
C22H25F6N7O3 549.476000 |
MJPLTIGFNFYZIV-CABCVRRESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694621; PubChem:CID167229136
|
Local ready
Direct docking supported
|
|
E3L034547
BDB034547
|
BDBM694622
O=C(CC[C@@H]1C[C@H](N2CCOCC2)CN1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
|
C25H30F6N8O3 604.556000 |
SAJUIWASIJXNSM-MSOLQXFVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694622; PubChem:CID167229041
|
Local ready
Direct docking supported
|
|
E3L034548
BDB034548
|
BDBM694623
CCO[C@H]1C[C@@H](CCC(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)N(c2cc(C(F)(F)F)c(=O)[nH]n2)C1
|
C23H27F6N7O3 563.503000 |
DETVQHYFSHWWBS-CVEARBPZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694623; PubChem:CID167229045
|
Local ready
Direct docking supported
|
|
E3L034549
BDB034549
|
BDBM694624
O=C(CC[C@@H]1C[C@@H](N2CCCC2)CN1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
|
C25H30F6N8O2 588.557000 |
HICODDHJHKXOBW-QZTJIDSGSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694624; PubChem:CID167228938
|
Local ready
Direct docking supported
|
|
E3L034550
BDB034550
|
BDBM694625
O=C(CC[C@@H]1C[C@H](N2CCCC2)CN1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
|
C25H30F6N8O2 588.557000 |
HICODDHJHKXOBW-MSOLQXFVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694625; PubChem:CID167228941
|
Local ready
Direct docking supported
|
|
E3L034551
BDB034551
|
BDBM694626
C[C@H]1CC[C@@H](CCC(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)N1c1cc(C(F)(F)F)c(=O)[nH]n1
|
C22H25F6N7O2 533.477000 |
BDQLEBFPVSEZSI-ZFWWWQNUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694626; PubChem:CID167228947
|
Local ready
Direct docking supported
|
|
E3L034552
BDB034552
|
BDBM694627
CCO[C@@H]1C[C@@H](CCC(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)N(c2cc(C(F)(F)F)c(=O)[nH]n2)C1
|
C23H27F6N7O3 563.503000 |
DETVQHYFSHWWBS-HZPDHXFCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694627; PubChem:CID167228940
|
Local ready
Direct docking supported
|
|
E3L034553
BDB034553
|
BDBM694628
N[C@@H]1C[C@@H](CCC(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)N(c2cc(C(F)(F)F)c(=O)[nH]n2)C1
|
C21H24F6N8O2 534.465000 |
YBQAXMUUMRZOKE-ZIAGYGMSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694628; PubChem:CID167229137
|
Local ready
Direct docking supported
|
|
E3L034554
BDB034554
|
BDBM694629
N[C@H]1C[C@@H](CCC(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)N(c2cc(C(F)(F)F)c(=O)[nH]n2)C1
|
C21H24F6N8O2 534.465000 |
YBQAXMUUMRZOKE-UONOGXRCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694629; PubChem:CID167229141
|
Local ready
Direct docking supported
|
|
E3L034555
BDB034555
|
BDBM694630
O=C(CC[C@@H]1C[C@H](F)CN1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
|
C21H22F7N7O2 537.440000 |
LXMVOWGBBQUTCO-UONOGXRCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694630; PubChem:CID167229187
|
Local ready
Direct docking supported
|
|
E3L034556
BDB034556
|
BDBM694631
CO[C@@H]1C[C@@H](CCC(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)N(c2cc(C(F)(F)F)c(=O)[nH]n2)C1
|
C22H25F6N7O3 549.476000 |
MJPLTIGFNFYZIV-HUUCEWRRSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694631; PubChem:CID167229134
|
Local ready
Direct docking supported
|
|
E3L034557
BDB034557
|
BDBM694632
O=C(CC[C@@H]1C[C@@H](Oc2cccc(Cl)c2)CN1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
|
C27H26ClF6N7O3 645.992000 |
HISJVPLDLOXJOH-UYAOXDASSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694632; PubChem:CID167228930
|
Local ready
Direct docking supported
|
|
E3L034558
BDB034558
|
BDBM694633
O=C(CC[C@@H]1C[C@@H](Oc2ccc(F)cc2F)CN1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
|
C27H25F8N7O3 647.527000 |
YUZWVHGUAQAWSV-QZTJIDSGSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM694633
|
Local ready
Direct docking supported
|
|
E3L034559
BDB034559
|
BDBM694634
O=C(CC[C@@H]1C[C@H](Oc2cc(F)cc(F)c2)CN1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
|
C27H25F8N7O3 647.527000 |
AOKYAGKAZABLRM-QUCCMNQESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM694634
|
Local ready
Direct docking supported
|
|
E3L034560
BDB034560
|
BDBM694635
O=C(CC[C@@H]1C[C@H](Oc2ccc(F)c(F)c2)CN1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
|
C27H25F8N7O3 647.527000 |
XZSMATYNAXFGPX-AEFFLSMTSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM694635
|
Local ready
Direct docking supported
|