| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050001
BDB050001
|
Quinoline-8-carboxamide
NC(=O)c1cccc2cccnc12
|
C10H8N2O 172.187000 |
HPQRQAOVNXWEEQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50255266; PubChem:CID150664
|
Local ready
Direct docking supported
|
|
E3L050002
BDB050002
|
3-Methylquinoline-8-carboxamide
Cc1cnc2c(C(N)=O)cccc2c1
|
C11H10N2O 186.214000 |
BRQFPNHEOMCVCI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50255267; PubChem:CID25208598
|
Local ready
Direct docking supported
|
|
E3L050003
BDB050003
|
3-Ethynylquinoline-8-carboxamide
C#Cc1cnc2c(C(N)=O)cccc2c1
|
C12H8N2O 196.209000 |
FVYCGVPNXRWDOH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50255268; PubChem:CID25208746
|
Local ready
Direct docking supported
|
|
E3L050004
BDB050004
|
3-Ethyl-8-quinolinecarboxamide
CCc1cnc2c(C(N)=O)cccc2c1
|
C12H12N2O 200.241000 |
ACADFMJVXMCIFY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50255269; PubChem:CID25208904
|
Local ready
Direct docking supported
|
|
E3L050005
BDB050005
|
3-Ethenylquinoline-8-carboxamide
C=Cc1cnc2c(C(N)=O)cccc2c1
|
C12H10N2O 198.225000 |
CODIVOZOEAWHDX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50255270; PubChem:CID25208747
|
Local ready
Direct docking supported
|
|
E3L050006
BDB050006
|
Ethyl 4-oxo-4-(4-phenylthiazol-2-ylamino) butanoate
CCOC(=O)CCC(=O)Nc1nc(-c2ccccc2)cs1
|
C15H16N2O3S 304.371000 |
YGFKGMORTVGKLL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50255299; PubChem:CID25208411
|
Local ready
Direct docking supported
|
|
E3L050007
BDB050007
|
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
O=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1
|
C15H11N3OS 281.340000 |
PUUUVNHZQJNJSV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50255300; PubChem:CID790259
|
Local ready
Direct docking supported
|
|
E3L050008
BDB050008
|
2-Cinnamamido-4-phenylthiazole
O=C(/C=C/c1ccccc1)Nc1nc(-c2ccccc2)cs1
|
C18H14N2OS 306.390000 |
WOJRHCOBUKJCAJ-VAWYXSNFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50255301; PubChem:CID690181
|
Local ready
Direct docking supported
|
|
E3L050009
BDB050009
|
3-Prop-1-ynylquinoline-8-carboxamide
CC#Cc1cnc2c(C(N)=O)cccc2c1
|
C13H10N2O 210.236000 |
IUUKYHUSWYCGAA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50255325; PubChem:CID25208905
|
Local ready
Direct docking supported
|
|
E3L050010
BDB050010
|
3-(4-Methoxyphenyl)quinoline-8-carboxamide
COc1ccc(-c2cnc3c(C(N)=O)cccc3c2)cc1
|
C17H14N2O2 278.311000 |
UGSBKCQMUULOFC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50255326; PubChem:CID25208906
|
Local ready
Direct docking supported
|
|
E3L050011
BDB050011
|
3-(4-Methylphenyl)quinoline-8-carboxamide
Cc1ccc(-c2cnc3c(C(N)=O)cccc3c2)cc1
|
C17H14N2O 262.312000 |
LYXWNUZBSDEHEC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50255327; PubChem:CID25208907
|
Local ready
Direct docking supported
|
|
E3L050012
BDB050012
|
3-(4-Cyanophenyl)quinoline-8-carboxamide
N#Cc1ccc(-c2cnc3c(C(N)=O)cccc3c2)cc1
|
C17H11N3O 273.295000 |
YPRXWWMYARFAIR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50255328; PubChem:CID25209053
|
Local ready
Direct docking supported
|
|
E3L050013
BDB050013
|
2-Methylquinoline-8-carboxamide
Cc1ccc2cccc(C(N)=O)c2n1
|
C11H10N2O 186.214000 |
FKDAECIKJPVBCN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50255329; PubChem:CID21195867
|
Local ready
Direct docking supported
|
|
E3L050014
BDB050014
|
2-Ethylquinoline-8-carboxamide
CCc1ccc2cccc(C(N)=O)c2n1
|
C12H12N2O 200.241000 |
DFEARBGMUARFKD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50255330; PubChem:CID25208752
|
Local ready
Direct docking supported
|
|
E3L050015
BDB050015
|
2-Phenylquinoline-8-carboxamide
NC(=O)c1cccc2ccc(-c3ccccc3)nc12
|
C16H12N2O 248.285000 |
BNQJEMTZUOVMLM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50255331; PubChem:CID44156952
|
Local ready
Direct docking supported
|
|
E3L050016
BDB050016
|
BDBM50255355
COc1cc(/C=C/C(=O)Nc2nc(-c3ccccc3)cs2)cc(OC)c1
|
C20H18N2O3S 366.442000 |
BWBYUECOZPJPMH-CMDGGOBGSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50255355; PubChem:CID25208412
|
Local ready
Direct docking supported
|
|
E3L050017
BDB050017
|
BDBM50255356
CCOC(=O)CCC(=O)Nc1nc2c(s1)CCCC2
|
C13H18N2O3S 282.365000 |
DAGVHESRBXBYMM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50255356; PubChem:CID25208413
|
Local ready
Direct docking supported
|
|
E3L050018
BDB050018
|
BDBM50255357
COc1cc(/C=C/C(=O)Nc2nc3c(s2)CCCC3)cc(OC)c1
|
C18H20N2O3S 344.436000 |
FUNCDLLJRBQKKA-BQYQJAHWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50255357; PubChem:CID25208414
|
Local ready
Direct docking supported
|
|
E3L050019
BDB050019
|
BDBM50255358
CCOc1ccc(-c2csc(/N=C/c3c[nH]c4ccccc34)n2)c(OCC)c1
|
C22H21N3O2S 391.496000 |
BQOKRGNGLBKKAI-ZMOGYAJESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50255358; PubChem:CID135931723
|
Local ready
Direct docking supported
|
|
E3L050020
BDB050020
|
BDBM50255359
O=C1NCCn2cnc3cccc1c32
|
C10H9N3O 187.202000 |
OCWIBGIXQMKKSP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50255359; PubChem:CID20779872
|
Local ready
Direct docking supported
|