| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001001
BDB001001
|
BDBM27494
O=C1CCn2c(-c3ccc(-c4ccccn4)cc3)nc3cccc1c32
|
C21H15N3O 325.371000 |
XBGUMYRMQKLELD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27494; PubChem:CID25113762
|
Local ready
Direct docking supported
|
|
E3L001002
BDB001002
|
6-Chloro-2,3-dimethylimidazo[1,2-a]pyridin-8-ol
Cc1nc2c(O)cc(Cl)cn2c1C
|
C9H9ClN2O 196.637000 |
JJTUIIUDUVKJDA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27495; PubChem:CID25113763
|
Local ready
Direct docking supported
|
|
E3L001003
BDB001003
|
BDBM27496
Cn1cccc1/C=C1\C(=O)NC(=O)c2ccccc21
|
C15H12N2O2 252.273000 |
BTYSIDSTHDDAJW-LCYFTJDESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27496; PubChem:CID25113764
|
Local ready
Direct docking supported
|
|
E3L001004
BDB001004
|
PJ-34
CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
|
C17H17N3O2 295.342000 |
UYJZZVDLGDDTCL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27497; PubChem:CID4858
|
Local ready
Direct docking supported
|
|
E3L001005
BDB001005
|
4-Amino-1,8-naphthalimide
Nc1ccc2c3c(cccc13)C(=O)NC2=O
|
C12H8N2O2 212.208000 |
SSMIFVHARFVINF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27498; PubChem:CID1720
|
Local ready
Direct docking supported
|
|
E3L001006
BDB001006
|
BDBM27499
O=C1NCC2c3ccccc3Oc3cccc1c32
|
C15H11NO2 237.258000 |
ZRUZRVJWCFFMMF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27499; PubChem:CID9881187
|
Local ready
Direct docking supported
|
|
E3L001007
BDB001007
|
6(5H)-Phenanthridinone
O=c1[nH]c2ccccc2c2ccccc12
|
C13H9NO 195.221000 |
RZFVLEJOHSLEFR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27500; PubChem:CID1853
|
Local ready
Direct docking supported
|
|
E3L001008
BDB001008
|
1,5-Isoquinolinediol
O=c1[nH]ccc2c(O)cccc12
|
C9H7NO2 161.160000 |
LFUJIPVWTMGYDG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27501; PubChem:CID1340
|
Local ready
Direct docking supported
|
|
E3L001009
BDB001009
|
BDBM27502
O=C1NCCc2c(OCCCCN3CCCCC3)cccc21
|
C18H26N2O2 302.418000 |
RVOUDNBEIXGHJY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27502; PubChem:CID9948349
|
Local ready
Direct docking supported
|
|
E3L001010
BDB001010
|
5-aminoisoquinolin-1(2H)-one
Nc1cccc2c(=O)[nH]ccc12
|
C9H8N2O 160.176000 |
SVASVGVAQIVSEZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27503; PubChem:CID2072
|
Local ready
Direct docking supported
|
|
E3L001011
BDB001011
|
4(1H)-Quinazolinone
O=c1[nH]cnc2ccccc12
|
C8H6N2O 146.149000 |
QMNUDYFKZYBWQX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27504; PubChem:CID135408753
|
Local ready
Direct docking supported
|
|
E3L001012
BDB001012
|
5-Iodo-6-amino-1,2-benzopyrone
Nc1ccc2oc(=O)ccc2c1I
|
C9H6INO2 287.056000 |
WWRAFPGUBABZSD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27505; PubChem:CID72356
|
Local ready
Direct docking supported
|
|
E3L001013
BDB001013
|
3-Aminobenzamide
NC(=O)c1cccc(N)c1
|
C7H8N2O 136.154000 |
GSCPDZHWVNUUFI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27506; PubChem:CID1645
|
Local ready
Direct docking supported
|
|
E3L001014
BDB001014
|
Nicotinamide
NC(=O)c1cccnc1
|
C6H6N2O 122.127000 |
DFPAKSUCGFBDDF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27507; PubChem:CID936
|
Local ready
Direct docking supported
|
|
E3L001015
BDB001015
|
5,6-dihydro-5-oxo-11H-indeno [1,2-c]isoquinoline
O=c1[nH]c2c(c3ccccc13)Cc1ccccc1-2
|
C16H11NO 233.270000 |
MOPKKHSEOPGEBJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27508; PubChem:CID10105388
|
Local ready
Direct docking supported
|
|
E3L001016
BDB001016
|
BDBM27510
O=c1[nH]c2c(c3ccccc13)Cc1ccc([N+](=O)[O-])cc1-2
|
C16H10N2O3 278.267000 |
SWBDUXDIPMGDNO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27510; PubChem:CID25190929
|
Local ready
Direct docking supported
|
|
E3L001017
BDB001017
|
BDBM27511
O=c1[nH]c2c(c3ccccc13)Cc1cc([N+](=O)[O-])ccc1-2
|
C16H10N2O3 278.267000 |
UEMVQJCVVOFVCZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27511; PubChem:CID25190930
|
Local ready
Direct docking supported
|
|
E3L001018
BDB001018
|
BDBM27512
O=c1[nH]c2c(c3ccccc13)Cc1ccc(F)cc1-2
|
C16H10FNO 251.260000 |
JDHAGQFOPJNKLS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27512; PubChem:CID25190931
|
Local ready
Direct docking supported
|
|
E3L001019
BDB001019
|
BDBM27513
O=c1[nH]c2c(c3ccccc13)Cc1cc(F)ccc1-2
|
C16H10FNO 251.260000 |
YZRNXEMHDKXRRA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27513; PubChem:CID25190932
|
Local ready
Direct docking supported
|
|
E3L001020
BDB001020
|
BDBM27514
Nc1ccc2c(c1)-c1[nH]c(=O)c3ccccc3c1C2
|
C16H12N2O 248.285000 |
LQEYAIKMIJUZNT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27514; PubChem:CID11736764
|
Local ready
Direct docking supported
|