| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L034521
BDB034521
|
US20240287037, Example 18
O=C1CCC(N2Cc3cc(O[C@H]4CCCC[C@@H]4N4CC(C5CC(F)(F)C5)C4)ccc3C2=O)C(=O)N1
|
C26H31F2N3O4 487.547000 |
FCYACKZDDNYZCQ-NHNZYLEHSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM693804; PubChem:CID166470109
|
Local ready
Direct docking supported
|
|
E3L034522
BDB034522
|
US20240287037, Example 19
CCOC1CCC(C2CN([C@H]3CCCC[C@@H]3Oc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)C2)CC1
|
C30H41N3O5 523.674000 |
ZZEYWSILRYYFDR-LRMPIJKUSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM693805; PubChem:CID166470069
|
Local ready
Direct docking supported
|
|
E3L034523
BDB034523
|
US20240287037, Example 20
O=C1CCC(N2Cc3cc(O[C@H]4CCCC[C@@H]4N4CC(C5CCCC(F)(F)C5)C4)ccc3C2=O)C(=O)N1
|
C28H35F2N3O4 515.601000 |
GAHBGFQTKICKCM-WUHANWRDSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM693806; PubChem:CID166470076
|
Local ready
Direct docking supported
|
|
E3L034524
BDB034524
|
US20240287037, Example 21
O=C1CCC(N2Cc3cc(O[C@H]4CCCC[C@@H]4N4CC(C5CCC(OC(F)F)CC5)C4)ccc3C2=O)C(=O)N1
|
C29H37F2N3O5 545.627000 |
KIWSRVUEUSJSNH-GZGVZFBVSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM693807; PubChem:CID166470096
|
Local ready
Direct docking supported
|
|
E3L034525
BDB034525
|
US20240287037, Example 22
O=C1CCC(N2Cc3cc(O[C@H]4CCC[C@@H]4N4CC(C5CC5)C4)ccc3C2=O)C(=O)N1
|
C24H29N3O4 423.513000 |
CXJTYXZIOXNQHD-YSTUSHMSSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM693808; PubChem:CID166470173
|
Local ready
Direct docking supported
|
|
E3L034526
BDB034526
|
US20240287037, Example 23
N#CC1(C2CN([C@H]3CCCC[C@@H]3Oc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)C2)CCC1
|
C27H32N4O4 476.577000 |
FFGHFCHCWGXTDC-LIMDNCRJSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM693809; PubChem:CID166470071
|
Local ready
Direct docking supported
|
|
E3L034527
BDB034527
|
US20240287037, Example 24
O=C1CCC(N2Cc3c(ccc(O[C@H]4CCCC[C@@H]4N4CC(C5CC5)C4)c3F)C2=O)C(=O)N1
|
C25H30FN3O4 455.530000 |
GMXCJFQOYYTAIG-WMEOFMBSSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM693810; PubChem:CID166470150
|
Local ready
Direct docking supported
|
|
E3L034528
BDB034528
|
US20240287037, Example 25
O=C1CCC(N2Cc3c(ccc(O[C@H]4CCCC[C@@H]4N4CC(C5CCC5)C4)c3F)C2=O)C(=O)N1
|
C26H32FN3O4 469.557000 |
QTNBKMBBNVENLO-YSTUSHMSSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM693811; PubChem:CID166470113
|
Local ready
Direct docking supported
|
|
E3L034529
BDB034529
|
US20240287037, Example 26
O=C1CCC(N2Cc3cc(O[C@H]4CCCC[C@@H]4N4CC(C5CC5)C4)c(F)cc3C2=O)C(=O)N1
|
C25H30FN3O4 455.530000 |
YMWFESDXWVGTLQ-YSTUSHMSSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM693812; PubChem:CID166470117
|
Local ready
Direct docking supported
|
|
E3L034530
BDB034530
|
US20240287037, Example 27
O=C1CCC(N2Cc3cc(O[C@H]4CCCC[C@@H]4N4CC(C5CCC5)C4)c(F)cc3C2=O)C(=O)N1
|
C26H32FN3O4 469.557000 |
QRVWOIJJYGGDCG-NHNZYLEHSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM693813; PubChem:CID166470129
|
Local ready
Direct docking supported
|
|
E3L034531
BDB034531
|
Ivuparib
CCc1cc2ncc(CN3CCN4c5ccc(C(=O)NC)nc5COC[C@H]4C3)cc2[nH]c1=O
|
C24H28N6O3 448.527000 |
KDIVJSFAVWBRRL-QGZVFWFLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694225; PubChem:CID166138955
|
Local ready
Direct docking supported
|
|
E3L034532
BDB034532
|
BDBM694606
O=C(COC[C@@H]1CCCN1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
|
C21H23F6N7O3 535.449000 |
QWXXAMNXENCFLM-AWEZNQCLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694606; PubChem:CID167228854
|
Local ready
Direct docking supported
|
|
E3L034533
BDB034533
|
BDBM694608
O=C(CC[C@H]1CCCN1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
|
C21H23F6N7O2 519.450000 |
LFYTWGBFZMCREV-CQSZACIVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694608; PubChem:CID167229140
|
Local ready
Direct docking supported
|
|
E3L034534
BDB034534
|
BDBM694609
O=C(CC[C@@H]1C[C@H](Oc2ccccc2)CN1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
|
C27H27F6N7O3 611.547000 |
WAMUOUJQXBYVOO-QUCCMNQESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694609; PubChem:CID167229138
|
Local ready
Direct docking supported
|
|
E3L034535
BDB034535
|
BDBM694610
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-ZIAGYGMSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694610; PubChem:CID167229075
|
Local ready
Direct docking supported
|
|
E3L034536
BDB034536
|
BDBM694611
O=C1NN=C(N2C[C@H](Oc3ccccc3)C[C@H]2CCC(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)CC1C(F)(F)F
|
C27H29F6N7O3 613.563000 |
LBCRVQOCKRRJPU-SAMMEDMISA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694611; PubChem:CID172637795
|
Local ready
Direct docking supported
|
|
E3L034537
BDB034537
|
BDBM694612
O=C(CC[C@@H]1CCCCN1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
|
C22H25F6N7O2 533.477000 |
LTUOFKFLZDKSRD-HNNXBMFYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694612; PubChem:CID167229061
|
Local ready
Direct docking supported
|
|
E3L034538
BDB034538
|
BDBM694613
O=C(CC[C@@H]1CC(F)(F)CN1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
|
C21H21F8N7O2 555.430000 |
WNMYZOLGAGNXGE-CYBMUJFWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694613; PubChem:CID167228978
|
Local ready
Direct docking supported
|
|
E3L034539
BDB034539
|
BDBM694614
O=C(CC[C@@H]1C[C@@H]2CCC[C@@H]2N1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
|
C24H27F6N7O2 559.515000 |
ZOFBQDSFQVONQL-LESCRADOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM694614
|
Local ready
Direct docking supported
|
|
E3L034540
BDB034540
|
BDBM694615
O=C(CC[C@@H]1CC(OCc2ccccc2)CN1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
|
C28H29F6N7O3 625.574000 |
RQIZHRJCWXOIGA-VQCQRNETSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694615; PubChem:CID172637796
|
Local ready
Direct docking supported
|