| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051281
BDB051281
|
2-(3-fluorophenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
O=c1[nH]c2cc(-c3cccc(F)c3)nn2c2ccccc12
|
C16H10FN3O 279.274000 |
LIFULKIBTCDMPR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295205; PubChem:CID135906991
|
Local ready
Direct docking supported
|
|
E3L051282
BDB051282
|
BDBM50295206
CC(C)(C)c1ccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc1
|
C20H19N3O 317.392000 |
ZYKNFQCMFXLAGP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295206; PubChem:CID135966077
|
Local ready
Direct docking supported
|
|
E3L051283
BDB051283
|
2-(4-propylphenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CCCc1ccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc1
|
C19H17N3O 303.365000 |
KDJCTKGNXNMZPH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295207; PubChem:CID136123473
|
Local ready
Direct docking supported
|
|
E3L051284
BDB051284
|
2-(thiophen-2-yl)pyrazolo[1,5-a]quinazolin-5(4H)-one
O=c1[nH]c2cc(-c3cccs3)nn2c2ccccc12
|
C14H9N3OS 267.313000 |
QUSNKXLHGMLKDK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295208; PubChem:CID135939587
|
Local ready
Direct docking supported
|
|
E3L051285
BDB051285
|
BDBM50295209
O=C(NCCCN1CCOCC1)c1cc2[nH]c(=O)c3ccccc3n2n1
|
C18H21N5O3 355.398000 |
RIIHWDADOJFDDN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295209; PubChem:CID135910457
|
Local ready
Direct docking supported
|
|
E3L051286
BDB051286
|
BDBM50295210
O=C(NCCN1CCOCC1)c1cc2[nH]c(=O)c3ccccc3n2n1
|
C17H19N5O3 341.371000 |
QDYMKXZHPGKQHR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295210; PubChem:CID135910459
|
Local ready
Direct docking supported
|
|
E3L051287
BDB051287
|
2-phenylpyrazolo[1,5-a]quinazolin-5(4H)-one
O=c1[nH]c2cc(-c3ccccc3)nn2c2ccccc12
|
C16H11N3O 261.284000 |
PBGUSECSIDSSHI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295211; PubChem:CID135939584
|
Local ready
Direct docking supported
|
|
E3L051288
BDB051288
|
BDBM50295212
COc1cccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)c1OC
|
C18H15N3O3 321.336000 |
PQYRVDVXIYMQMP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295212; PubChem:CID135907012
|
Local ready
Direct docking supported
|
|
E3L051289
BDB051289
|
BDBM50295213
CN(C)CCN(C)C(=O)c1cc2[nH]c(=O)c3ccccc3n2n1
|
C16H19N5O2 313.361000 |
MWYHTQGJBUIJQS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295213; PubChem:CID135910455
|
Local ready
Direct docking supported
|
|
E3L051290
BDB051290
|
BDBM50295214
O=C(NCCC1(N2CCOCC2)CCCC1)c1cc2[nH]c(=O)c3ccccc3n2n1
|
C22H27N5O3 409.490000 |
PIPCUQXGOFMTFB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295214; PubChem:CID135965958
|
Local ready
Direct docking supported
|
|
E3L051291
BDB051291
|
BDBM50295215
CN1CCC(CNC(=O)c2cc3[nH]c(=O)c4ccccc4n3n2)C1
|
C17H19N5O2 325.372000 |
AQCJBKVEOQRKOD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295215; PubChem:CID135910421
|
Local ready
Direct docking supported
|
|
E3L051292
BDB051292
|
BDBM50295216
CN1CCC(CNC(=O)c2cc3[nH]c(=O)c4ccccc4n3n2)CC1
|
C18H21N5O2 339.399000 |
NPZPIVCRGSTVGU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295216; PubChem:CID135910419
|
Local ready
Direct docking supported
|
|
E3L051293
BDB051293
|
BDBM50295217
COc1cc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc(OC)c1OC
|
C19H17N3O4 351.362000 |
SMPCVIKAYTYWTL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295217; PubChem:CID135908480
|
Local ready
Direct docking supported
|
|
E3L051294
BDB051294
|
BDBM50295218
O=C(c1cc2[nH]c(=O)c3ccccc3n2n1)N1CCCNCC1
|
C16H17N5O2 311.345000 |
FHZFSCLZULVSOX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295218; PubChem:CID135910442
|
Local ready
Direct docking supported
|
|
E3L051295
BDB051295
|
BDBM50295219
CN1CCCN(C(=O)c2cc3[nH]c(=O)c4ccccc4n3n2)CC1
|
C17H19N5O2 325.372000 |
XGONRZNVOGGEMK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50295219; PubChem:CID135908481
|
Local ready
Direct docking supported
|
|
E3L051296
BDB051296
|
BDBM50295902
Cn1cc(C2=C(c3cn(CCCN4CCOCC4)c4ccccc34)C(=O)NC2=O)c2ncccc21
|
C27H27N5O3 469.545000 |
RHJNQTDEEXCGSA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50295902; PubChem:CID44241614
|
Local ready
Direct docking supported
|
|
E3L051297
BDB051297
|
BDBM50295903
O=C1NC(=O)C(n2ccc3ncccc32)=C1c1cn(CCCn2ccnc2)c2ccc(Br)cc12
|
C25H19BrN6O2 515.371000 |
WAHJVVBFOFEHSE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50295903; PubChem:CID44241613
|
Local ready
Direct docking supported
|
|
E3L051298
BDB051298
|
BDBM50295904
O=C1NC(=O)C(n2ccc3ncccc32)=C1c1cn(CCn2ccnc2)c2ccccc12
|
C24H18N6O2 422.448000 |
QPIQPTBXCPADIC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50295904; PubChem:CID45273505
|
Local ready
Direct docking supported
|
|
E3L051299
BDB051299
|
BDBM50296540
NCCc1c[nH]c2ccc3c(c12)CCNC3=O
|
C13H15N3O 229.283000 |
AFJVHLMQYGQCRU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296540; PubChem:CID24764972
|
Local ready
Direct docking supported
|
|
E3L051300
BDB051300
|
BDBM50296541
CC(C)NCCc1c[nH]c2ccc3c(c12)CCNC3=O
|
C16H21N3O 271.364000 |
JJYYQHZFWRHHJM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296541; PubChem:CID45270081
|
Local ready
Direct docking supported
|