| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062421
BDB062421
|
BDBM50601768
Cc1cnc(N2CCN(CCCc3nc4c(Cl)cccc4c(=O)[nH]3)CC2)n1C
|
C20H25ClN6O 400.914000 |
HVYNZDGGVRBTFE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50601768; PubChem:CID156596362
|
Local ready
Direct docking supported
|
|
E3L062422
BDB062422
|
BDBM50601769
Cc1cnc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3ccccc34)CC2)n1C
|
C23H25N5O 387.487000 |
FLTKNCUXYGRLOI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50601769; PubChem:CID168285710
|
Local ready
Direct docking supported
|
|
E3L062423
BDB062423
|
BDBM50601770
Cc1cnc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3cccnc34)CC2)n1C
|
C22H24N6O 388.475000 |
DROQVECQSRMSSA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50601770; PubChem:CID168288984
|
Local ready
Direct docking supported
|
|
E3L062424
BDB062424
|
BDBM50601771
Cc1cnc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3ncccc34)CC2)n1C
|
C22H24N6O 388.475000 |
BSZCBLUQDHMLKX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50601771; PubChem:CID168274962
|
Local ready
Direct docking supported
|
|
E3L062425
BDB062425
|
BDBM50601772
Cc1cnc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCC5)CC2)n1C
|
C23H29N5O 391.519000 |
YLXGAIYNRGPZSR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50601772; PubChem:CID168276213
|
Local ready
Direct docking supported
|
|
E3L062426
BDB062426
|
BDBM50601773
Cc1cnc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)COCC5)CC2)n1C
|
C22H27N5O2 393.491000 |
LLBJIYDIZMEDJE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50601773; PubChem:CID168271761
|
Local ready
Direct docking supported
|
|
E3L062427
BDB062427
|
BDBM50601774
Cc1cnc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)n1C
|
C22H28N6O 392.507000 |
NWNPCEBPFPRRNK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50601774; PubChem:CID168296887
|
Local ready
Direct docking supported
|
|
E3L062428
BDB062428
|
BDBM50601775
CCc1cc2ccc(CN3CCN(c4ncc(C)n4C)CC3)cc2[nH]c1=O
|
C21H27N5O 365.481000 |
VOQRBLKAJQZWAI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50601775; PubChem:CID156596361
|
Local ready
Direct docking supported
|
|
E3L062429
BDB062429
|
BDBM50601776
CCc1cc2ccc(CN3CCN(c4ccc(F)cc4F)CC3)cc2[nH]c1=O
|
C22H23F2N3O 383.442000 |
RKWUYAPKMXCMHF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50601776; PubChem:CID168285892
|
Local ready
Direct docking supported
|
|
E3L062430
BDB062430
|
BDBM50601777
CCc1cc2ccc(CN3CCN(c4ccc(C(=O)NC)cc4)CC3)cc2[nH]c1=O
|
C24H28N4O2 404.514000 |
XUKIDVZIRKKXTQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50601777; PubChem:CID168291345
|
Local ready
Direct docking supported
|
|
E3L062431
BDB062431
|
BDBM50601778
CCc1cc2ccc(CN3CCN(c4cnc(C(=O)NC)cn4)CC3)cc2[nH]c1=O
|
C22H26N6O2 406.490000 |
NFVDWUAJZMYDKN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50601778; PubChem:CID168287622
|
Local ready
Direct docking supported
|
|
E3L062432
BDB062432
|
BDBM50601779
CCc1cc2ccc(CN3CCN(c4cnc(C(=O)NC)nc4)CC3)cc2[nH]c1=O
|
C22H26N6O2 406.490000 |
IFWBMCSAZFPFMU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50601779; PubChem:CID168280912
|
Local ready
Direct docking supported
|
|
E3L062433
BDB062433
|
BDBM50601780
CCc1cc2ccc(CN3CCN(c4ccc(C(=O)NC)nn4)CC3)cc2[nH]c1=O
|
C22H26N6O2 406.490000 |
CKCIDVQGNYSTLC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50601780; PubChem:CID168291623
|
Local ready
Direct docking supported
|
|
E3L062434
BDB062434
|
BDBM50601781
CCc1cc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O
|
C23H27N5O2 405.502000 |
CEIZJAXIHJZKRG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50601781; PubChem:CID156596360
|
Local ready
Direct docking supported
|
|
E3L062435
BDB062435
|
BDBM50601787
CC(C)Oc1cccc(-c2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)n2)c1
|
C19H16F3N3O3 391.349000 |
FINLYLBWMQZNIN-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50601787; PubChem:CID126754445
|
Local ready
Direct docking supported
|
|
E3L062436
BDB062436
|
BDBM50601788
CN(C)C(=O)c1cccc(-c2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)n2)c1
|
C19H15F3N4O3 404.348000 |
FRRZRAZHHYLGGZ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50601788; PubChem:CID157010569
|
Local ready
Direct docking supported
|
|
E3L062437
BDB062437
|
BDBM50601789
O=C(O)c1cnn(-c2ccccn2)c1C(F)(F)F
|
C10H6F3N3O2 257.171000 |
ZQXVRORVHVWEMM-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50601789; PubChem:CID16787723
|
Local ready
Direct docking supported
|
|
E3L062438
BDB062438
|
BDBM50601790
O=C(O)c1cnn(-c2ccccc2)c1C(F)(F)F
|
C11H7F3N2O2 256.183000 |
SMPJBTIFNUUWGQ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50601790; PubChem:CID688699
|
Local ready
Direct docking supported
|
|
E3L062439
BDB062439
|
BDBM50601791
O=C(O)c1cnn(-c2cccc(NS(=O)(=O)c3ccccc3)c2)c1C(F)(F)F
|
C17H12F3N3O4S 411.361000 |
PMPHWMBWIBMSMD-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50601791; PubChem:CID168285999
|
Local ready
Direct docking supported
|
|
E3L062440
BDB062440
|
BDBM50601792
O=C(O)c1cnn(-c2cccc(-c3cccc(CNS(=O)(=O)c4ccccc4)c3)c2)c1C(F)(F)F
|
C24H18F3N3O4S 501.486000 |
KDKUYMKVNOCDPR-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50601792; PubChem:CID168271505
|
Local ready
Direct docking supported
|