| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056161
BDB056161
|
BDBM50438238
CNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)C(C)O4)CC2)c(C)c1
|
C24H30N4O3 422.529000 |
VSEUBTHLHOCRIW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438238; PubChem:CID66716892
|
Local ready
Direct docking supported
|
|
E3L056162
BDB056162
|
BDBM50438239
CCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)C(C)O4)CC2)cc1
|
C24H30N4O3 422.529000 |
JOXGAKHVVVHYRB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438239; PubChem:CID66717138
|
Local ready
Direct docking supported
|
|
E3L056163
BDB056163
|
BDBM50438240
CNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)C(C)O4)CC2)cc1
|
C23H28N4O3 408.502000 |
OYJQBDOBRMEDSI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438240; PubChem:CID66716783
|
Local ready
Direct docking supported
|
|
E3L056164
BDB056164
|
BDBM50438241
CCNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)C(C)O4)CC2)c(Cl)c1
|
C23H27ClN4O3 442.947000 |
XHOOZNDNKCPJEE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438241; PubChem:CID66716841
|
Local ready
Direct docking supported
|
|
E3L056165
BDB056165
|
BDBM50438242
CCNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)C(C)O4)CC2)cc1
|
C23H28N4O3 408.502000 |
AXPUPLBOXKRYFP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438242; PubChem:CID66716735
|
Local ready
Direct docking supported
|
|
E3L056166
BDB056166
|
BDBM50438243
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)C(C)O4)CC2)cc1
|
C22H26N4O3 394.475000 |
WUMWUCZSMPMERM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438243; PubChem:CID66716807
|
Local ready
Direct docking supported
|
|
E3L056167
BDB056167
|
BDBM50438244
CC1Oc2ccc(CN3CC=C(c4ccc(Cl)cc4)CC3)cc2NC1=O
|
C21H21ClN2O2 368.864000 |
UXKGKMDPTXLNNA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438244; PubChem:CID66717004
|
Local ready
Direct docking supported
|
|
E3L056168
BDB056168
|
BDBM50438245
O=C1COc2ccc(CN3CC=C(c4ccc(Cl)cc4)CC3)cc2N1
|
C20H19ClN2O2 354.837000 |
DILADYSWTPWOGH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438245; PubChem:CID66717068
|
Local ready
Direct docking supported
|
|
E3L056169
BDB056169
|
BDBM50438246
CC1Oc2cc(CN3CCC(c4ccccc4)CC3)ccc2NC1=O
|
C21H24N2O2 336.435000 |
LFQXLJXFRXWFNG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438246; PubChem:CID66716644
|
Local ready
Direct docking supported
|
|
E3L056170
BDB056170
|
BDBM50438247
CC1Oc2ccc(CN3CCC(c4ccccc4)CC3)cc2NC1=O
|
C21H24N2O2 336.435000 |
PFEWYNQWEUWTKM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438247; PubChem:CID66716724
|
Local ready
Direct docking supported
|
|
E3L056171
BDB056171
|
BDBM50438248
O=C1COc2ccc(CN3CCC(c4ccccc4)CC3)cc2N1
|
C20H22N2O2 322.408000 |
STRLBVZWHPHNQB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438248; PubChem:CID46926682
|
Local ready
Direct docking supported
|
|
E3L056172
BDB056172
|
BDBM50438249
CC1Oc2ccc(CN3CCC(N(C)C)CC3)cc2NC1=O
|
C17H25N3O2 303.406000 |
ZWBJNDNUMVKDNM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438249; PubChem:CID66717181
|
Local ready
Direct docking supported
|
|
E3L056173
BDB056173
|
BDBM50438250
CN(C)C1CCN(Cc2ccc3c(c2)NC(=O)CO3)CC1
|
C16H23N3O2 289.379000 |
TUICGBWGYXWHSX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438250; PubChem:CID66717064
|
Local ready
Direct docking supported
|
|
E3L056174
BDB056174
|
BDBM50438251
CC1Oc2ccc(CNCc3ccccc3)cc2NC1=O
|
C17H18N2O2 282.343000 |
QYEIRRZFGJNFFY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438251; PubChem:CID22623185
|
Local ready
Direct docking supported
|
|
E3L056175
BDB056175
|
6-[(benzylamino)methyl]-4H-1,4-benzoxazin-3-one
O=C1COc2ccc(CNCc3ccccc3)cc2N1
|
C16H16N2O2 268.316000 |
QNWJOUJOOHISIZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438252; PubChem:CID66717074
|
Local ready
Direct docking supported
|
|
E3L056176
BDB056176
|
6-(anilinomethyl)-4H-1,4-benzoxazin-3-one
O=C1COc2ccc(CNc3ccccc3)cc2N1
|
C15H14N2O2 254.289000 |
SKVPPUMEXUNNJC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438253; PubChem:CID66716749
|
Local ready
Direct docking supported
|
|
E3L056177
BDB056177
|
6-Ethyl-2H-benzo[b][1,4]oxazin-3(4H)-one
CCc1ccc2c(c1)NC(=O)CO2
|
C10H11NO2 177.203000 |
TWYRMESOIJMLJN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438254; PubChem:CID50878733
|
Local ready
Direct docking supported
|
|
E3L056178
BDB056178
|
3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbaldehyde
O=Cc1ccc2c(c1)NC(=O)CO2
|
C9H7NO3 177.159000 |
VHKABBARGFUYOF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438255; PubChem:CID10773638
|
Local ready
Direct docking supported
|
|
E3L056179
BDB056179
|
2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
CC1(C)Oc2ccccc2NC1=O
|
C10H11NO2 177.203000 |
LJRUKUQEIHJTEL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438256; PubChem:CID10607395
|
Local ready
Direct docking supported
|
|
E3L056180
BDB056180
|
2-methyl-2H-1,4-benzoxazin-3(4H)-one
CC1Oc2ccccc2NC1=O
|
C9H9NO2 163.176000 |
PILVMCZSXIINLV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438257; PubChem:CID301730
|
Local ready
Direct docking supported
|