| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046081
BDB046081
|
Pyrrolo(4,3,2-de)isoquinolin-5(1H)-one, 3,4-dihydro-
O=C1NCc2c[nH]c3cccc1c23
|
C10H8N2O 172.187000 |
PYLXNOZFJZQGBX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120703; PubChem:CID3041095
|
Local ready
Direct docking supported
|
|
E3L046082
BDB046082
|
BDBM50120704
O=C1NCCc2c(-c3cccc4ccccc34)[nH]c3cccc1c23
|
C21H16N2O 312.372000 |
JFGPLGUMLCADAX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120704; PubChem:CID11109746
|
Local ready
Direct docking supported
|
|
E3L046083
BDB046083
|
BDBM50120705
O=C1NCCc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c3cccc1c23
|
C19H12F6N2O 398.306000 |
XSMNDEJDQCQJJG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120705; PubChem:CID11014815
|
Local ready
Direct docking supported
|
|
E3L046084
BDB046084
|
BDBM50120706
O=C1NCCc2c(-c3ccc(Cn4cccc4)cc3)[nH]c3cccc1c23
|
C22H19N3O 341.414000 |
ZLFVDICCMDJJIP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120706; PubChem:CID44363892
|
Local ready
Direct docking supported
|
|
E3L046085
BDB046085
|
BDBM50120707
O=C1NCCc2c(-c3cccs3)[nH]c3cccc1c23
|
C15H12N2OS 268.341000 |
KQNQAZATUCCCPG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120707; PubChem:CID9921542
|
Local ready
Direct docking supported
|
|
E3L046086
BDB046086
|
BDBM50120709
CNC(=O)c1[nH]c2cccc3c2c1CCNC3=O
|
C13H13N3O2 243.266000 |
OUPIWCNVMBULGK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120709; PubChem:CID10944628
|
Local ready
Direct docking supported
|
|
E3L046087
BDB046087
|
BDBM50120710
Nc1cccc(-c2[nH]c3cccc4c3c2CCNC4=O)c1
|
C17H15N3O 277.327000 |
ZPIJDIIBTAAOBV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120710; PubChem:CID11807998
|
Local ready
Direct docking supported
|
|
E3L046088
BDB046088
|
BDBM50120711
O=C1NCCc2c(C(c3ccccc3)c3ccccc3)[nH]c3cccc1c23
|
C24H20N2O 352.437000 |
UPKUCIOIJSLJPD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120711; PubChem:CID44363947
|
Local ready
Direct docking supported
|
|
E3L046089
BDB046089
|
BDBM50120712
COc1[nH]c2cccc3c2c1CCNC3=O
|
C12H12N2O2 216.240000 |
DXSYUFITKMNQME-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120712; PubChem:CID44363946
|
Local ready
Direct docking supported
|
|
E3L046090
BDB046090
|
BDBM50120713
CC(C)(C)c1ccc(-c2[nH]c3cccc4c3c2CCNC4=O)cc1
|
C21H22N2O 318.420000 |
GNXATSRRFRLQQA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120713; PubChem:CID11012595
|
Local ready
Direct docking supported
|
|
E3L046091
BDB046091
|
BDBM50120714
O=C(O)c1ccc(-c2[nH]c3cccc4c3c2CCNC4=O)cc1
|
C18H14N2O3 306.321000 |
YWOBNNJZEWLGBH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120714; PubChem:CID11808931
|
Local ready
Direct docking supported
|
|
E3L046092
BDB046092
|
BDBM50120715
Fc1ccc(-c2[nH]c3cccc4c3c2CCNC4)cc1
|
C17H15FN2 266.319000 |
ATLLOSJYMSQHDH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120715; PubChem:CID11010927
|
Local ready
Direct docking supported
|
|
E3L046093
BDB046093
|
2,3,4,6-Tetrahydro-1H-azepino[5,4,3-cd]indol-1-one
O=C1NCCc2c[nH]c3cccc1c23
|
C11H10N2O 186.214000 |
AGPZUEDYVLUKMF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120717; PubChem:CID9815456
|
Local ready
Direct docking supported
|
|
E3L046094
BDB046094
|
BDBM50120718
O=C1NCCc2c(-c3cccnc3)[nH]c3cccc1c23
|
C16H13N3O 263.300000 |
KXPPOBXQOHQSAK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120718; PubChem:CID11832254
|
Local ready
Direct docking supported
|
|
E3L046095
BDB046095
|
BDBM50120719
O=C1NCCc2c(O)[nH]c3cccc1c23
|
C11H10N2O2 202.213000 |
PNSAGUZOWVWTHK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120719; PubChem:CID136094865
|
Local ready
Direct docking supported
|
|
E3L046096
BDB046096
|
BDBM50120720
O=C1NCCc2c(-c3ccccc3Cl)[nH]c3cccc1c23
|
C17H13ClN2O 296.757000 |
DBGAZMNMQUFNSE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120720; PubChem:CID9948137
|
Local ready
Direct docking supported
|
|
E3L046097
BDB046097
|
BDBM50120721
Cn1c(-c2ccccc2)c2c3c(cccc31)C(=O)NCC2
|
C18H16N2O 276.339000 |
WBUDVYBBJRDSFX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120721; PubChem:CID10956768
|
Local ready
Direct docking supported
|
|
E3L046098
BDB046098
|
BDBM50120722
O=C1NCCc2c(-c3ccc4[nH]ccc4c3)[nH]c3cccc1c23
|
C19H15N3O 301.349000 |
LEQTVGHPTNSWLT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120722; PubChem:CID11822754
|
Local ready
Direct docking supported
|
|
E3L046099
BDB046099
|
BDBM50120723
CN(C)Cc1cccc(-c2[nH]c3cccc4c3c2CCNC4=O)c1
|
C20H21N3O 319.408000 |
FCYQYEPRWPMDBZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120723; PubChem:CID9861852
|
Local ready
Direct docking supported
|
|
E3L046100
BDB046100
|
BDBM50120724
O=C1NCCc2c(-c3ccccc3)[nH]c3cccc1c23
|
C17H14N2O 262.312000 |
CMVVSYUUFABRBC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120724; PubChem:CID10220882
|
Local ready
Direct docking supported
|