| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051261
BDB051261
|
2-(3-chlorophenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
O=c1[nH]c2cc(-c3cccc(Cl)c3)nn2c2ccccc12
|
C16H10ClN3O 295.729000 |
FODDBGBISGHKEG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295185; PubChem:CID135939590
|
Local ready
Direct docking supported
|
|
E3L051262
BDB051262
|
2-(4-ethylphenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CCc1ccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc1
|
C18H15N3O 289.338000 |
APXPSRBDBABVCM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295186; PubChem:CID135907001
|
Local ready
Direct docking supported
|
|
E3L051263
BDB051263
|
2-p-tolylpyrazolo[1,5-a]quinazolin-5(4H)-one
Cc1ccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc1
|
C17H13N3O 275.311000 |
YZYXTSIMDPDOTA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295187; PubChem:CID135907000
|
Local ready
Direct docking supported
|
|
E3L051264
BDB051264
|
BDBM50295188
O=C(c1cc2[nH]c(=O)c3ccccc3n2n1)N1CCN2CCC[C@H]2C1
|
C18H19N5O2 337.383000 |
OXOBJCCLEXOFAS-LBPRGKRZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295188; PubChem:CID135910433
|
Local ready
Direct docking supported
|
|
E3L051265
BDB051265
|
2-(3-bromophenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
O=c1[nH]c2cc(-c3cccc(Br)c3)nn2c2ccccc12
|
C16H10BrN3O 340.180000 |
AZWOKBYQQBHWPT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295189; PubChem:CID135906992
|
Local ready
Direct docking supported
|
|
E3L051266
BDB051266
|
BDBM50295190
O=C(c1cc2[nH]c(=O)c3ccccc3n2n1)N1CCCC(CN2CCOCC2)C1
|
C21H25N5O3 395.463000 |
CDNQNODATVRJBG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295190; PubChem:CID135910401
|
Local ready
Direct docking supported
|
|
E3L051267
BDB051267
|
2-(4-bromophenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
O=c1[nH]c2cc(-c3ccc(Br)cc3)nn2c2ccccc12
|
C16H10BrN3O 340.180000 |
WUYILTMQXNFROG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295191; PubChem:CID135906999
|
Local ready
Direct docking supported
|
|
E3L051268
BDB051268
|
BDBM50295192
CN(C)CCN(C)C(=O)c1cccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)c1
|
C22H23N5O2 389.459000 |
WQJIDQXIYQNQPX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295192; PubChem:CID135966078
|
Local ready
Direct docking supported
|
|
E3L051269
BDB051269
|
BDBM50295193
O=C(NCCN1CCOCC1)c1cnn2c1[nH]c(=O)c1ccccc12
|
C17H19N5O3 341.371000 |
XNYOOYGDOKWZAS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295193; PubChem:CID135965923
|
Local ready
Direct docking supported
|
|
E3L051270
BDB051270
|
BDBM50295194
O=C(c1cnn2c1[nH]c(=O)c1ccccc12)N1CCCNCC1
|
C16H17N5O2 311.345000 |
WCXUADZVVMCNEK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295194; PubChem:CID135965959
|
Local ready
Direct docking supported
|
|
E3L051271
BDB051271
|
BDBM50295195
CN1CCCN(C(=O)c2cnn3c2[nH]c(=O)c2ccccc23)CC1
|
C17H19N5O2 325.372000 |
JNEAPOGYRXEHLQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295195; PubChem:CID135965878
|
Local ready
Direct docking supported
|
|
E3L051272
BDB051272
|
BDBM50295196
CN1CCN(C(=O)c2cnn3c2[nH]c(=O)c2ccccc23)CC1
|
C16H17N5O2 311.345000 |
OWJXFHJPHHEPNZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295196; PubChem:CID135939654
|
Local ready
Direct docking supported
|
|
E3L051273
BDB051273
|
BDBM50295197
CN1CCN(C(=O)c2cccc(-c3cc4[nH]c(=O)c5ccccc5n4n3)c2)CC1
|
C22H21N5O2 387.443000 |
MVOJDKFPHMMCPE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295197; PubChem:CID135965881
|
Local ready
Direct docking supported
|
|
E3L051274
BDB051274
|
BDBM50295198
O=C(c1cc2[nH]c(=O)c3ccccc3n2n1)N1CCC(CN2CCOCC2)CC1
|
C21H25N5O3 395.463000 |
QEKQCZISWRPRTG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295198; PubChem:CID135910407
|
Local ready
Direct docking supported
|
|
E3L051275
BDB051275
|
BDBM50295199
CN(C)CCN(C)C(=O)c1ccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc1
|
C22H23N5O2 389.459000 |
BWHLRXMIYFBCCH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295199; PubChem:CID136123475
|
Local ready
Direct docking supported
|
|
E3L051276
BDB051276
|
BDBM50295200
CN1CCN(C(=O)c2ccc(-c3cc4[nH]c(=O)c5ccccc5n4n3)cc2)CC1
|
C22H21N5O2 387.443000 |
GYGNIJSKOUCXOA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295200; PubChem:CID135966032
|
Local ready
Direct docking supported
|
|
E3L051277
BDB051277
|
BDBM50295201
O=C(c1ccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc1)N1CCN2CCC[C@H]2C1
|
C24H23N5O2 413.481000 |
UMAFOCZZSDRYKR-SFHVURJKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295201; PubChem:CID136123476
|
Local ready
Direct docking supported
|
|
E3L051278
BDB051278
|
BDBM50295202
N#Cc1ccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc1
|
C17H10N4O 286.294000 |
YDRQYGUVONIMTQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295202; PubChem:CID135965990
|
Local ready
Direct docking supported
|
|
E3L051279
BDB051279
|
BDBM50295203
O=c1[nH]c2cc(-c3ccc(OC(F)(F)F)cc3)nn2c2ccccc12
|
C17H10F3N3O2 345.280000 |
WACQTCGYDVZLMO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295203; PubChem:CID135907003
|
Local ready
Direct docking supported
|
|
E3L051280
BDB051280
|
2-(4-fluorophenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
O=c1[nH]c2cc(-c3ccc(F)cc3)nn2c2ccccc12
|
C16H10FN3O 279.274000 |
QQIJLQDWDCXCHG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295204; PubChem:CID135906994
|
Local ready
Direct docking supported
|