| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048261
BDB048261
|
BDBM50198050
O=C(O)c1ccc2[nH]c(=O)n(-c3nc4ccccc4[nH]3)c2c1
|
C15H10N4O3 294.270000 |
RWISMQRIOIBWRA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50198050; PubChem:CID134140009
|
Local ready
Direct docking supported
|
|
E3L048262
BDB048262
|
BDBM50198051
CCc1cccc(/N=C2\S/C(=C\c3ccncc3)C(=O)N2C)c1
|
C18H17N3OS 323.421000 |
UQCRIBMUEAGYOY-SOBIRXOSSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50198051
|
Local ready
Direct docking supported
|
|
E3L048263
BDB048263
|
BDBM50198052
CCc1ccc(/N=C2\SC(Cc3ccnc(Nc4ccc(C(=O)O)cn4)c3)C(=O)N2C)cc1
|
C24H23N5O3S 461.547000 |
FMSSTDMQBGTWMW-PNHLSOANSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50198052
|
Local ready
Direct docking supported
|
|
E3L048264
BDB048264
|
Emedastine Impurity 16
O=c1[nH]c2ccccc2n1-c1nc2ccccc2[nH]1
|
C14H10N4O 250.261000 |
ZSWQYSJNHWGDPD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50198053; PubChem:CID12773351
|
Local ready
Direct docking supported
|
|
E3L048265
BDB048265
|
3-(4-methyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-one
Cc1cccc2[nH]c(-n3c(=O)[nH]c4ccccc43)nc12
|
C15H12N4O 264.288000 |
RSMAWJDFMFMDPC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50198069; PubChem:CID134156839
|
Local ready
Direct docking supported
|
|
E3L048266
BDB048266
|
BDBM50198070
O=c1[nH]c2ccccc2n1-c1nc2cc(C(F)(F)F)ccc2[nH]1
|
C15H9F3N4O 318.258000 |
KMPIBHAAGGIJEX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50198070; PubChem:CID134136561
|
Local ready
Direct docking supported
|
|
E3L048267
BDB048267
|
BDBM50198071
O=c1[nH]c2cccc(O)c2n1-c1nc2ccccc2[nH]1
|
C14H10N4O2 266.260000 |
GFYSQDYKZLVMHR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50198071; PubChem:CID134135699
|
Local ready
Direct docking supported
|
|
E3L048268
BDB048268
|
3-(1H-benzimidazol-2-yl)-6-chloro-1H-benzimidazol-2-one
O=c1[nH]c2cc(Cl)ccc2n1-c1nc2ccccc2[nH]1
|
C14H9ClN4O 284.706000 |
JGIPMAGMXBLCNH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50198072; PubChem:CID134143409
|
Local ready
Direct docking supported
|
|
E3L048269
BDB048269
|
BDBM50198073
CNC(=O)c1ccc2c(c1)[nH]c(=O)n2-c1nc2ccccc2[nH]1
|
C16H13N5O2 307.313000 |
RLHHTNGKNOTFMX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50198073; PubChem:CID134135714
|
Local ready
Direct docking supported
|
|
E3L048270
BDB048270
|
BDBM50198074
Cc1ccc(/N=C2\S/C(=C\c3ccncc3)C(=O)N2C)cc1C
|
C18H17N3OS 323.421000 |
QEXZTKRHKONCKZ-JTHVCAJSSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50198074
|
Local ready
Direct docking supported
|
|
E3L048271
BDB048271
|
BDBM50198076
CN1C(=O)/C(=C/c2ccncc2)S/C1=N\c1ccc(C(F)(F)F)cc1
|
C17H12F3N3OS 363.364000 |
SBWZCGURSKPMSJ-WAQMNQRUSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50198076
|
Local ready
Direct docking supported
|
|
E3L048272
BDB048272
|
BDBM50198077
CN1C(=O)/C(=C/c2ccncc2)S/C1=N\c1ccc(Br)cc1
|
C16H12BrN3OS 374.263000 |
NGOIPODKBUBEQY-DXFYSBJQSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50198077
|
Local ready
Direct docking supported
|
|
E3L048273
BDB048273
|
BDBM50198078
CCc1ccc(/N=C2\S/C(=C\c3ccnc(N)c3)C(=O)N2C)cc1
|
C18H18N4OS 338.436000 |
QYBSALZKQFIJDX-WVPXGCSDSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50198078
|
Local ready
Direct docking supported
|
|
E3L048274
BDB048274
|
BDBM50198079
CCc1ccc(/N=C2\S/C(=C\c3ccnc(NC(=O)CCN)c3)C(=O)N2C)cc1
|
C21H23N5O2S 409.515000 |
SZHBLQHIMVPWLH-GXRVDCRFSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50198079
|
Local ready
Direct docking supported
|
|
E3L048275
BDB048275
|
BDBM50198080
CCc1ccc(/N=C2\S/C(=C\c3ccnc(NC(=O)CC(=O)O)c3)C(=O)N2C)cc1
|
C21H20N4O4S 424.482000 |
LAYBLQJADRYSIW-NROCREKASA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50198080
|
Local ready
Direct docking supported
|
|
E3L048276
BDB048276
|
BDBM50198081
CCc1ccc(/N=C2\S/C(=C\c3ccnc(NC(=O)CCC(=O)O)c3)C(=O)N2C)cc1
|
C22H22N4O4S 438.509000 |
AIYAAHSLCORTFA-QFLUIHSUSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50198081
|
Local ready
Direct docking supported
|
|
E3L048277
BDB048277
|
BDBM50198082
CCc1ccc(/N=C2\S/C(=C\c3ccnc(Nc4ccc(C(=O)O)cc4)c3)C(=O)N2C)cc1
|
C25H22N4O3S 458.543000 |
KSWDUVDWZMIXGY-ZMSDRGEISA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50198082
|
Local ready
Direct docking supported
|
|
E3L048278
BDB048278
|
BDBM50198083
CN1C(=O)/C(=C/c2ccncc2)S/C1=N\c1ccccc1
|
C16H13N3OS 295.367000 |
PGENWZYYRAFGOG-ZXTBRZHZSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50198083
|
Local ready
Direct docking supported
|
|
E3L048279
BDB048279
|
BDBM50198084
CCc1ccc(/N=C2\S/C(=C\c3ccnc(Nc4ccccn4)c3)C(=O)N2C)cc1
|
C23H21N5OS 415.522000 |
KFKPRIMBMAKQFG-QFMGQSSSSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50198084
|
Local ready
Direct docking supported
|
|
E3L048280
BDB048280
|
BDBM50198086
CCc1ccc(/N=C2\S/C(=C\c3ccnc(NC(=O)CCCC(=O)O)c3)C(=O)N2C)cc1
|
C23H24N4O4S 452.536000 |
AMBKKVYXYHXOQB-NCNSWMIJSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50198086
|
Local ready
Direct docking supported
|