| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004961
BDB004961
|
BDBM116791
COCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)c(F)c2)c1
|
C27H26FN5O4 503.534000 |
RQYTYYKPVBSSQC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116791; PubChem:CID66763470
|
Local ready
Direct docking supported
|
|
E3L004962
BDB004962
|
BDBM116792
NC(=O)c1cccc2c(N[C@H](CN3CCCC3)c3ccccc3)ncnc12
|
C21H23N5O 361.449000 |
ATMONDFPCFVRCS-GOSISDBHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116792; PubChem:CID66762828
|
Local ready
Direct docking supported
|
|
E3L004963
BDB004963
|
BDBM116793
COc1ccc(C(=O)Nc2cccc(CNc3ccnc4c(C(N)=O)cccc34)c2)cc1F
|
C25H21FN4O3 444.466000 |
MZNBFJHMZMXTSD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116793; PubChem:CID68078780
|
Local ready
Direct docking supported
|
|
E3L004964
BDB004964
|
BDBM116794
COCCNc1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)ccn1
|
C25H25N7O3 471.521000 |
VIDVOURISMXBLG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116794; PubChem:CID68078798
|
Local ready
Direct docking supported
|
|
E3L004965
BDB004965
|
BDBM116795
COc1cc(C(N)=O)c2ncnc(NC(CN(C)C)c3ccccc3OC)c2c1
|
C21H25N5O3 395.463000 |
HFFMDSWQQSOGQY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116795; PubChem:CID66762527
|
Local ready
Direct docking supported
|
|
E3L004966
BDB004966
|
BDBM116796
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4cccc(OCCN5CCOCC5)c4)c3)ncnc12
|
C29H31N7O4 541.612000 |
KDFQZJLGQYVRDD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116796; PubChem:CID68078799
|
Local ready
Direct docking supported
|
|
E3L004967
BDB004967
|
BDBM116797
CN1CCN(CCOc2cccc(NC(=O)Nc3cccc(CNc4ncnc5c(C(N)=O)cccc45)c3)c2)CC1
|
C30H34N8O3 554.655000 |
BMBRORMYOGZNDI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116797; PubChem:CID66763076
|
Local ready
Direct docking supported
|
|
E3L004968
BDB004968
|
BDBM116798
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)N2CCC(F)(F)C2)c1
|
C22H22F2N6O2 440.454000 |
QZHICJQAPASSMT-CYBMUJFWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116798; PubChem:CID66763559
|
Local ready
Direct docking supported
|
|
E3L004969
BDB004969
|
BDBM116799
COCCNc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cn1
|
C25H25N7O3 471.521000 |
UOYJLMIJVTUQOD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116799; PubChem:CID68081620
|
Local ready
Direct docking supported
|
|
E3L004970
BDB004970
|
BDBM116800
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(N5CCOCC5)nc4)c3)ncnc12
|
C26H25N7O3 483.532000 |
JWLUINJKUPWLHG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116800; PubChem:CID68078800
|
Local ready
Direct docking supported
|
|
E3L004971
BDB004971
|
BDBM116801
CC(C)CNc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cn1
|
C26H27N7O2 469.549000 |
FYVFJSKWDZJJKR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116801; PubChem:CID68079111
|
Local ready
Direct docking supported
|
|
E3L004972
BDB004972
|
BDBM116802
NC(=O)C1=c2ncnc(NC(CCN3CCCC3)c3cccc(NC(=O)c4ccccc4)c3)c2=CCC1
|
C29H32N6O2 496.615000 |
VGTHGZPXVRMONY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116802; PubChem:CID68078856
|
Local ready
Direct docking supported
|
|
E3L004973
BDB004973
|
BDBM116803
COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cc1C(F)(F)F
|
C25H20F3N5O3 495.461000 |
KVVZDQBHKUCWQF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116803; PubChem:CID66762835
|
Local ready
Direct docking supported
|
|
E3L004974
BDB004974
|
BDBM116804
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Nc2cc(C(F)(F)F)ccn2)c1
|
C23H19F3N6O 452.440000 |
KXEUNUNXKXUREW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116804; PubChem:CID66763180
|
Local ready
Direct docking supported
|
|
E3L004975
BDB004975
|
BDBM116805
CC(C)OC(=O)N(C)CC(Nc1ncnc2c1=CCCC=2C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
|
C29H31BrN6O4 607.509000 |
KVMFMAFRXJBOKN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116805; PubChem:CID68078785
|
Local ready
Direct docking supported
|
|
E3L004976
BDB004976
|
BDBM116806
NC(=O)c1cccc2c(NC(CO)c3cccc(NC(O)c4ccc(Br)cc4)c3)ncnc12
|
C24H22BrN5O3 508.376000 |
HIMKKNZIZIEOLQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116806; PubChem:CID68081629
|
Local ready
Direct docking supported
|
|
E3L004977
BDB004977
|
BDBM116807
NCCOc1ccc(C(N)=O)c2ncnc(NCc3cccc(F)c3)c12
|
C18H18FN5O2 355.373000 |
MNADIDYEYJJAGB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116807; PubChem:CID66763547
|
Local ready
Direct docking supported
|
|
E3L004978
BDB004978
|
BDBM116808
NC(=O)c1cccc2c(NCc3cc(F)c(F)c(F)c3)ncnc12
|
C16H11F3N4O 332.285000 |
MRWCZMOGCUIUIA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116808; PubChem:CID66763190
|
Local ready
Direct docking supported
|
|
E3L004979
BDB004979
|
BDBM116810
COc1ccc(C(=O)NC2=CCCC([C@H](C)Nc3ncnc4c(C(N)=O)cccc34)=C2)cc1F
|
C25H24FN5O3 461.497000 |
UQXVKPUPDOHDDK-AWEZNQCLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116810; PubChem:CID68078791
|
Local ready
Direct docking supported
|
|
E3L004980
BDB004980
|
BDBM116811
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2CC2(F)F)c1
|
C21H19F2N5O2 411.412000 |
VQTZMSIOEYJERT-ZVDHGWRTSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116811; PubChem:CID66763201
|
Local ready
Direct docking supported
|