| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L018081
BDB018081
|
US10576064, Example I-306
O=C(O)CNc1ccc(N2CC[C@H]3[C@@H](C2=O)[C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc4cc(Cl)ccc42)N3CC2CC2)cc1
|
C32H29Cl2FN4O4 623.512000 |
KOXXJAYYRUTMJL-GUGCCZFXSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM432055; PubChem:CID118636577
|
Local ready
Direct docking supported
|
|
E3L018082
BDB018082
|
BDBM435384
Cn1cc(C(=O)C2CCN(C(=O)CC(C)(C)Cc3nc4ccccc4c(=O)[nH]3)CC2)cn1
|
C24H29N5O3 435.528000 |
JCXKRJIIGPWGFB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435384; PubChem:CID137239818
|
Local ready
Direct docking supported
|
|
E3L018083
BDB018083
|
BDBM435386
C[C@H](CC(=O)N1CCC(C(=O)c2cnn(C)c2)CC1)Cc1nc2ccccc2c(=O)[nH]1
|
C23H27N5O3 421.501000 |
QXYNHQXOVDACBV-HNNXBMFYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435386; PubChem:CID137239811
|
Local ready
Direct docking supported
|
|
E3L018084
BDB018084
|
BDBM435390
C[C@@H](CC(=O)N1CCC(C(=O)c2cnn(C)c2)CC1)Cc1nc2ccccc2c(=O)[nH]1
|
C23H27N5O3 421.501000 |
QXYNHQXOVDACBV-OAHLLOKOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435390; PubChem:CID137239840
|
Local ready
Direct docking supported
|
|
E3L018085
BDB018085
|
BDBM435393
CC(C)n1cc(C(=O)C2CCN(C(=O)C[C@@H](C)Cc3nc4ccccc4c(=O)[nH]3)CC2)cn1
|
C25H31N5O3 449.555000 |
FUQQJIVTKMJOTI-KRWDZBQOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435393; PubChem:CID137239828
|
Local ready
Direct docking supported
|
|
E3L018086
BDB018086
|
BDBM435394
CC(C)n1cc(C(=O)C2CCN(C(=O)C[C@H](C)Cc3nc4ccccc4c(=O)[nH]3)CC2)cn1
|
C25H31N5O3 449.555000 |
FUQQJIVTKMJOTI-QGZVFWFLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435394; PubChem:CID137239852
|
Local ready
Direct docking supported
|
|
E3L018087
BDB018087
|
BDBM435395
Cc1cc(F)cc2c(=O)[nH]c(C[C@H](C)CC(=O)N3CCC(C(=O)c4cnn(C)c4)CC3)nc12
|
C24H28FN5O3 453.518000 |
KTIYJXKGHKLGEV-AWEZNQCLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435395; PubChem:CID137239813
|
Local ready
Direct docking supported
|
|
E3L018088
BDB018088
|
BDBM435396
Cc1cc(F)cc2c(=O)[nH]c(C[C@@H](C)CC(=O)N3CCC(C(=O)c4cnn(C)c4)CC3)nc12
|
C24H28FN5O3 453.518000 |
KTIYJXKGHKLGEV-CQSZACIVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435396; PubChem:CID137239829
|
Local ready
Direct docking supported
|
|
E3L018089
BDB018089
|
BDBM435399
CC(C)[C@H](CC(=O)N1CCC(C(=O)c2cnn(C)c2)CC1)Cc1nc2ccccc2c(=O)[nH]1
|
C25H31N5O3 449.555000 |
TXRJABUPPZKCNT-SFHVURJKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435399; PubChem:CID137239795
|
Local ready
Direct docking supported
|
|
E3L018090
BDB018090
|
BDBM435400
CC(C)[C@@H](CC(=O)N1CCC(C(=O)c2cnn(C)c2)CC1)Cc1nc2ccccc2c(=O)[nH]1
|
C25H31N5O3 449.555000 |
TXRJABUPPZKCNT-GOSISDBHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435400; PubChem:CID137239814
|
Local ready
Direct docking supported
|
|
E3L018091
BDB018091
|
BDBM435402
CC(C)C[C@H](CC(=O)N1CCC(C(=O)c2cnn(C)c2)CC1)Cc1nc2ccccc2c(=O)[nH]1
|
C26H33N5O3 463.582000 |
BTVYOOANNCDQKM-SFHVURJKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435402; PubChem:CID137239793
|
Local ready
Direct docking supported
|
|
E3L018092
BDB018092
|
BDBM435403
CC(C)C[C@@H](CC(=O)N1CCC(C(=O)c2cnn(C)c2)CC1)Cc1nc2ccccc2c(=O)[nH]1
|
C26H33N5O3 463.582000 |
BTVYOOANNCDQKM-GOSISDBHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435403; PubChem:CID137239819
|
Local ready
Direct docking supported
|
|
E3L018093
BDB018093
|
BDBM435404
Cn1cc(C(=O)C2CCN(C(=O)CC3(Cc4nc5ccccc5c(=O)[nH]4)CC3)CC2)cn1
|
C24H27N5O3 433.512000 |
OIHAQLWXPNRBJG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435404; PubChem:CID137239833
|
Local ready
Direct docking supported
|
|
E3L018094
BDB018094
|
BDBM435405
Cn1cc(C(=O)C2CCN(C(=O)C(C)(C)CCc3nc4ccccc4c(=O)[nH]3)CC2)cn1
|
C24H29N5O3 435.528000 |
GBJOIXJAQBNTML-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435405; PubChem:CID137239803
|
Local ready
Direct docking supported
|
|
E3L018095
BDB018095
|
BDBM435406
Cn1cc(C(=O)C2CCN(C(=O)CCC(C)(C)c3nc4ccccc4c(=O)[nH]3)CC2)cn1
|
C24H29N5O3 435.528000 |
WQQPDDQFWUCFDH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435406; PubChem:CID137239845
|
Local ready
Direct docking supported
|
|
E3L018096
BDB018096
|
BDBM435407
COc1ccc(C(=O)C2CCN(C(=O)CCC(C)(C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1
|
C27H31N3O4 461.562000 |
YXSXXZZWNFHIGM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435407; PubChem:CID137218691
|
Local ready
Direct docking supported
|
|
E3L018097
BDB018097
|
BDBM435408
COc1ccc(C(=O)C2CCN(C(=O)CC(C)(C)Cc3nc4c(ccn4C)c(=O)[nH]3)CC2)cn1
|
C25H31N5O4 465.554000 |
BGRUEOQGBAKLPG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435408; PubChem:CID138490154
|
Local ready
Direct docking supported
|
|
E3L018098
BDB018098
|
BDBM435409
Cn1cc(C(=O)C2CCN(C(=O)CC(C)(C)Cc3nc4c(ccn4C)c(=O)[nH]3)CC2)cn1
|
C23H30N6O3 438.532000 |
KCIAHAOBFVPQKW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435409; PubChem:CID137239842
|
Local ready
Direct docking supported
|
|
E3L018099
BDB018099
|
BDBM435410
CCn1cc(C(=O)C2CCN(C(=O)CC(C)(C)Cc3nc4c(ccn4C)c(=O)[nH]3)CC2)cn1
|
C24H32N6O3 452.559000 |
CVEOMWCWJJWSAV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435410; PubChem:CID138490147
|
Local ready
Direct docking supported
|
|
E3L018100
BDB018100
|
BDBM435411
CC(C)n1cc(C(=O)C2CCN(C(=O)CC(C)(C)Cc3nc4c(ccn4C)c(=O)[nH]3)CC2)cn1
|
C25H34N6O3 466.586000 |
TVAKNHJAERNITR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435411; PubChem:CID137239815
|
Local ready
Direct docking supported
|