| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046981
BDB046981
|
BDBM50154746
O=Cc1c(-c2ccc(Cl)cc2)n2c3c(cccc13)C(=O)NCC2
|
C18H13ClN2O2 324.767000 |
MZTVXNDEQKZCIB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154746; PubChem:CID11301786
|
Local ready
Direct docking supported
|
|
E3L046982
BDB046982
|
BDBM50154747
O=Cc1cn2c3c(cccc13)C(=O)NCC2
|
C12H10N2O2 214.224000 |
LPSHBZHLXZXCKO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154747; PubChem:CID11298843
|
Local ready
Direct docking supported
|
|
E3L046983
BDB046983
|
BDBM50154748
COC(=O)c1cn2c3c(cccc13)C(=O)NCC2
|
C13H12N2O3 244.250000 |
NGVZGFUCFGAGQB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154748; PubChem:CID11230287
|
Local ready
Direct docking supported
|
|
E3L046984
BDB046984
|
BDBM50154749
CC(=O)c1cn2c3c(cccc13)C(=O)NCC2
|
C13H12N2O2 228.251000 |
GHEPVJKPFAWXBC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154749; PubChem:CID11229916
|
Local ready
Direct docking supported
|
|
E3L046985
BDB046985
|
BDBM50154750
O=C1NCCn2c(-c3ccc(Cn4cccc4)cc3)cc3cccc1c32
|
C22H19N3O 341.414000 |
VNJHSZOLWJECAT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154750; PubChem:CID44396612
|
Local ready
Direct docking supported
|
|
E3L046986
BDB046986
|
BDBM50154751
O=C1NCCn2c(-c3ccccc3)cc3cccc1c32
|
C17H14N2O 262.312000 |
PEVSPCKJWXKQHX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154751; PubChem:CID11311554
|
Local ready
Direct docking supported
|
|
E3L046987
BDB046987
|
BDBM50154752
Cc1cn2c3c(cccc13)C(=O)NCC2
|
C12H12N2O 200.241000 |
JRCJWEHAUDLWIE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154752; PubChem:CID11252639
|
Local ready
Direct docking supported
|
|
E3L046988
BDB046988
|
BDBM50154753
CC(O)c1cn2c3c(cccc13)C(=O)NCC2
|
C13H14N2O2 230.267000 |
ORGASAWJOVWBIJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154753; PubChem:CID11817080
|
Local ready
Direct docking supported
|
|
E3L046989
BDB046989
|
BDBM50154754
O=C1NCCn2cc(CO)c3cccc1c32
|
C12H12N2O2 216.240000 |
NALXYZRHYSSWTE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154754; PubChem:CID11378922
|
Local ready
Direct docking supported
|
|
E3L046990
BDB046990
|
BDBM50154755
CC(N=O)c1cn2c3c(cccc13)C(=O)NCC2
|
C13H13N3O2 243.266000 |
TUBBIRIVBVCBIU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154755; PubChem:CID91315519
|
Local ready
Direct docking supported
|
|
E3L046991
BDB046991
|
BDBM50154756
CNCc1ccc(-c2cc3cccc4c3n2CCNC4=O)cc1
|
C19H19N3O 305.381000 |
BOJBPWPCEDTFBT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154756; PubChem:CID9882962
|
Local ready
Direct docking supported
|
|
E3L046992
BDB046992
|
BDBM50154757
NC(=S)c1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2
|
C18H14FN3OS 339.395000 |
YCHNEMRZDSXSSR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154757; PubChem:CID11186827
|
Local ready
Direct docking supported
|
|
E3L046993
BDB046993
|
BDBM50154758
O=C1NCCn2c(CCc3ccccc3)cc3cccc1c32
|
C19H18N2O 290.366000 |
UCEXQJSYUUWTQU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154758; PubChem:CID11231597
|
Local ready
Direct docking supported
|
|
E3L046994
BDB046994
|
BDBM50154759
CC(N=O)c1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2
|
C19H16FN3O2 337.354000 |
DBRLGDLEHDMLHK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154759; PubChem:CID91084266
|
Local ready
Direct docking supported
|
|
E3L046995
BDB046995
|
2-phenyl-N-(5-propan-2-yl-2-thiazolyl)acetamide
CC(C)c1cnc(NC(=O)Cc2ccccc2)s1
|
C14H16N2OS 260.362000 |
IGRZXNLKVUEFDM-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50155210; PubChem:CID16760027
|
Local ready
Direct docking supported
|
|
E3L046996
BDB046996
|
BDBM50155323
CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
|
C18H16Cl2N2O3S3 475.444000 |
XCIDZOGXCAZSLE-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50155323; PubChem:CID127032266
|
Local ready
Direct docking supported
|
|
E3L046997
BDB046997
|
BDBM50155324
CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
|
C18H16ClN3O5S3 485.996000 |
BEIQSAXXWHREFS-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50155324; PubChem:CID127032267
|
Local ready
Direct docking supported
|
|
E3L046998
BDB046998
|
BDBM50155325
CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(C)cc1
|
C19H19ClN2O3S3 455.026000 |
RYRBSHCBPPWIIQ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50155325; PubChem:CID127033824
|
Local ready
Direct docking supported
|
|
E3L046999
BDB046999
|
BDBM50155326
CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(OC)cc1
|
C19H19ClN2O4S3 471.025000 |
SEKQGOCSPOANLZ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50155326; PubChem:CID127033825
|
Local ready
Direct docking supported
|
|
E3L047000
BDB047000
|
BDBM50155327
CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(NC(C)=O)cc1
|
C20H20ClN3O4S3 498.051000 |
YBIGXUHWEVECBJ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50155327; PubChem:CID127033833
|
Local ready
Direct docking supported
|