| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L061761
BDB061761
|
BDBM50586758
CC[C@@H](C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C)[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21
|
C51H64ClN9O8S2 1030.715000 |
IEUOSJXYLRSZRR-QLMRCLNASA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB
BindingDB:BDBM50586758
|
Local ready
Direct docking supported
|
|
E3L061762
BDB061762
|
BDBM50586777
CCCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@H]1C
|
C24H27FN4O3 438.503000 |
LVZZNRAHJDTKAL-MRXNPFEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586777; PubChem:CID122706712
|
Local ready
Direct docking supported
|
|
E3L061763
BDB061763
|
BDBM50586778
C[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC(F)(F)F
|
C23H22F4N4O3 478.446000 |
WJSBPAZKQYZPAE-AWEZNQCLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586778; PubChem:CID130292389
|
Local ready
Direct docking supported
|
|
E3L061764
BDB061764
|
BDBM50586779
C[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC(F)(F)F
|
C23H22F4N4O3 478.446000 |
WJSBPAZKQYZPAE-CQSZACIVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586779; PubChem:CID122391207
|
Local ready
Direct docking supported
|
|
E3L061765
BDB061765
|
BDBM50586780
C[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1
|
C21H21FN4O3 396.422000 |
UBMGXAJVWWFLCY-ZDUSSCGKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586780; PubChem:CID166629296
|
Local ready
Direct docking supported
|
|
E3L061766
BDB061766
|
BDBM50586781
C[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1
|
C21H21FN4O3 396.422000 |
UBMGXAJVWWFLCY-CYBMUJFWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586781; PubChem:CID166632490
|
Local ready
Direct docking supported
|
|
E3L061767
BDB061767
|
BDBM50586782
CCCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@@H]1C
|
C24H27FN4O3 438.503000 |
LVZZNRAHJDTKAL-INIZCTEOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586782; PubChem:CID130292583
|
Local ready
Direct docking supported
|
|
E3L061768
BDB061768
|
BDBM50586783
CC(C)CN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@H]1C
|
C25H29FN4O3 452.530000 |
CDFHCXNQPYQRFI-QGZVFWFLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586783; PubChem:CID130292410
|
Local ready
Direct docking supported
|
|
E3L061769
BDB061769
|
BDBM50586784
CC(C)CN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@@H]1C
|
C25H29FN4O3 452.530000 |
CDFHCXNQPYQRFI-KRWDZBQOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586784; PubChem:CID130292548
|
Local ready
Direct docking supported
|
|
E3L061770
BDB061770
|
BDBM50586785
C[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC1CC1
|
C25H27FN4O3 450.514000 |
DQGBARZZIIDDAZ-MRXNPFEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586785; PubChem:CID130292584
|
Local ready
Direct docking supported
|
|
E3L061771
BDB061771
|
BDBM50586786
C[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC1CC1
|
C25H27FN4O3 450.514000 |
DQGBARZZIIDDAZ-INIZCTEOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586786; PubChem:CID130292605
|
Local ready
Direct docking supported
|
|
E3L061772
BDB061772
|
BDBM50586787
C/C=C/CN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@H]1C
|
C25H27FN4O3 450.514000 |
IMVSOTHSTUMFCM-REMYHPOOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586787; PubChem:CID130292617
|
Local ready
Direct docking supported
|
|
E3L061773
BDB061773
|
BDBM50586788
C/C=C/CN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@@H]1C
|
C25H27FN4O3 450.514000 |
IMVSOTHSTUMFCM-IDOMTICXSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586788; PubChem:CID130293206
|
Local ready
Direct docking supported
|
|
E3L061774
BDB061774
|
BDBM50586789
CC(C)=CCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@H]1C
|
C26H29FN4O3 464.541000 |
URLKBSWMVHJNHY-GOSISDBHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586789; PubChem:CID130292355
|
Local ready
Direct docking supported
|
|
E3L061775
BDB061775
|
BDBM50586790
CC(C)=CCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@@H]1C
|
C26H29FN4O3 464.541000 |
URLKBSWMVHJNHY-SFHVURJKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586790; PubChem:CID130292415
|
Local ready
Direct docking supported
|
|
E3L061776
BDB061776
|
BDBM50586791
CC(C)C(=O)N1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@H]1C
|
C25H27FN4O4 466.513000 |
BJFLQGUKMCVUMZ-MRXNPFEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586791; PubChem:CID130292391
|
Local ready
Direct docking supported
|
|
E3L061777
BDB061777
|
BDBM50586792
CC(C)C(=O)N1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@@H]1C
|
C25H27FN4O4 466.513000 |
BJFLQGUKMCVUMZ-INIZCTEOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586792; PubChem:CID130293194
|
Local ready
Direct docking supported
|
|
E3L061778
BDB061778
|
BDBM50586793
CC[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1
|
C22H23FN4O3 410.449000 |
USTBPCWKZJLWHI-OAHLLOKOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586793; PubChem:CID130292535
|
Local ready
Direct docking supported
|
|
E3L061779
BDB061779
|
BDBM50586794
CC[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1
|
C22H23FN4O3 410.449000 |
USTBPCWKZJLWHI-HNNXBMFYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586794; PubChem:CID130293181
|
Local ready
Direct docking supported
|
|
E3L061780
BDB061780
|
BDBM50586795
CC[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1C
|
C23H25FN4O3 424.476000 |
SCZPGKAQAVZXIX-MRXNPFEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586795; PubChem:CID130292561
|
Local ready
Direct docking supported
|