| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056501
BDB056501
|
BDBM50445842
O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccccc1F
|
C17H14FN3O3 327.315000 |
BDIYOLJSIVGYCD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445842; PubChem:CID17517933
|
Local ready
Direct docking supported
|
|
E3L056502
BDB056502
|
BDBM50445843
NS(=O)(=O)Nc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1
|
C17H17N5O5S 403.420000 |
UYCZDKHMVAILOX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445843; PubChem:CID76317419
|
Local ready
Direct docking supported
|
|
E3L056503
BDB056503
|
BDBM50445844
CC(=O)Nc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1
|
C19H18N4O4 366.377000 |
VPVSZNPZWAHUMY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445844; PubChem:CID17564466
|
Local ready
Direct docking supported
|
|
E3L056504
BDB056504
|
BDBM50445845
NC(=O)c1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1
|
C18H16N4O4 352.350000 |
NJZQBHKXJIICMZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445845; PubChem:CID17567838
|
Local ready
Direct docking supported
|
|
E3L056505
BDB056505
|
BDBM50445846
O=C1CN(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c2ccccc2N1
|
C18H14N4O3S 366.402000 |
RWQYGKVJDHDCQW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445846; PubChem:CID135477773
|
Local ready
Direct docking supported
|
|
E3L056506
BDB056506
|
4-[4-(4-oxo-3H-quinazolin-2-yl)butanoylamino]benzamide
NC(=O)c1ccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1
|
C19H18N4O3 350.378000 |
NFBSXZZAPIDCJD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445847; PubChem:CID135689567
|
Local ready
Direct docking supported
|
|
E3L056507
BDB056507
|
BDBM50445848
Cc1ccc2c(c1)CCCN2C(=O)CCc1nc2ccccc2c(=O)[nH]1
|
C21H21N3O2 347.418000 |
DXTIBESZPYLRRI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445848; PubChem:CID135659965
|
Local ready
Direct docking supported
|
|
E3L056508
BDB056508
|
BDBM50445849
NC(=O)C1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1
|
C17H20N4O3 328.372000 |
LWSPTTXDACSZCA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445849; PubChem:CID135462119
|
Local ready
Direct docking supported
|
|
E3L056509
BDB056509
|
BDBM50445850
O=C1CN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CCN1
|
C15H16N4O3 300.318000 |
VUOJMQJNAIKORB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445850; PubChem:CID136241635
|
Local ready
Direct docking supported
|
|
E3L056510
BDB056510
|
BDBM50445851
O=C1NC(=O)c2ccccc2/C1=C\c1ccc(F)cc1
|
C16H10FNO2 267.259000 |
CJLIMCLXEACZQG-NTEUORMPSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445851; PubChem:CID37346305
|
Local ready
Direct docking supported
|
|
E3L056511
BDB056511
|
BDBM50445852
O=C1NC(=O)c2ccccc2C1=CNc1ccccc1N1CCCCC1
|
C21H21N3O2 347.418000 |
MMPKRXWMHGKRHN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50445852
|
Local ready
Direct docking supported
|
|
E3L056512
BDB056512
|
BDBM50445853
NC(=O)c1ccccc1OCC(=O)N1CCc2ccccc2C1
|
C18H18N2O3 310.353000 |
PLISDQXOMUITEB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445853; PubChem:CID2474690
|
Local ready
Direct docking supported
|
|
E3L056513
BDB056513
|
BDBM50445854
O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccc(N2CCOCC2)nc1
|
C20H21N5O3 379.420000 |
UQJWIRBNEVYNQC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445854; PubChem:CID17488605
|
Local ready
Direct docking supported
|
|
E3L056514
BDB056514
|
BDBM50445855
CC(=O)c1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1
|
C19H17N3O4 351.362000 |
TTYSJLBJDKCBKP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445855; PubChem:CID26676715
|
Local ready
Direct docking supported
|
|
E3L056515
BDB056515
|
BDBM50445856
CN(C)CC(C)(C)CNC=C1C(=O)NC(=O)c2ccccc21
|
C17H23N3O2 301.390000 |
VMHNPMPEHZPBEP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50445856
|
Local ready
Direct docking supported
|
|
E3L056516
BDB056516
|
BDBM50445858
C=CCN1CCCC(C(=O)N2CCN(C(=O)CCc3nc4ccccc4c(=O)[nH]3)CC2)C1
|
C24H31N5O3 437.544000 |
FHLRVWLHFFVEFP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445858; PubChem:CID136249371
|
Local ready
Direct docking supported
|
|
E3L056517
BDB056517
|
BDBM50445859
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(C(=O)C2CCCNC2)CC1
|
C21H27N5O3 397.479000 |
UZXRZQIHGCMFDV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445859; PubChem:CID136241634
|
Local ready
Direct docking supported
|
|
E3L056518
BDB056518
|
BDBM50445860
C=CCOC(=O)N1CCCC(C(=O)N2CCN(C(=O)CCc3nc4ccccc4c(=O)[nH]3)CC2)C1
|
C25H31N5O5 481.553000 |
XGRSSEKYHKHWFT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445860; PubChem:CID136241424
|
Local ready
Direct docking supported
|
|
E3L056519
BDB056519
|
BDBM50445861
Cc1c(C(=O)N2CCN(C(=O)CCc3nc4ccccc4c(=O)[nH]3)CC2)oc2ccccc12
|
C25H24N4O4 444.491000 |
HPXHWIPGJAHDJI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445861; PubChem:CID136264450
|
Local ready
Direct docking supported
|
|
E3L056520
BDB056520
|
BDBM50445862
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(C(=O)C2CCCO2)CC1
|
C20H24N4O4 384.436000 |
GXFYPFWMJGPMKB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445862; PubChem:CID136240284
|
Local ready
Direct docking supported
|