| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L005121
BDB005121
|
BDBM116952
CN1CCN(Cc2ccc(C(=O)Nc3cccc(CNc4ncnc5c(C(N)=O)cccc45)c3)cc2)CC1
|
C29H31N7O2 509.614000 |
XGLWHPMFXKSELJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116952; PubChem:CID66763584
|
Local ready
Direct docking supported
|
|
E3L005122
BDB005122
|
BDBM116953
COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cc(F)cc34)c2)cc1
|
C24H20FN5O3 445.454000 |
PMMNKQAJRVXWOB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116953; PubChem:CID66764021
|
Local ready
Direct docking supported
|
|
E3L005123
BDB005123
|
BDBM116954
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)c(C(F)(F)F)c4)c3)ncnc12
|
C24H17ClF3N5O2 499.880000 |
CFSJJIBVJMSQIL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116954; PubChem:CID66763524
|
Local ready
Direct docking supported
|
|
E3L005124
BDB005124
|
BDBM116955
CN1CCN(c2ccc(C(=O)Nc3cccc(CNc4ncnc5c(C(N)=O)cccc45)c3)cc2)CC1
|
C28H29N7O2 495.587000 |
ZGEPOTKFDXIXLX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116955; PubChem:CID66763495
|
Local ready
Direct docking supported
|
|
E3L005125
BDB005125
|
BDBM116956
COCC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)cc2)c1
|
C27H27N5O4 485.544000 |
IHDFFGIONOKCLR-QHCPKHFHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116956; PubChem:CID68078916
|
Local ready
Direct docking supported
|
|
E3L005126
BDB005126
|
BDBM116957
NC(=O)c1cccc2c(NCc3cccc(Nc4nc5ccc(C(F)(F)F)cc5[nH]4)c3)ncnc12
|
C24H18F3N7O 477.450000 |
GCHPTPVYEQUDIU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116957; PubChem:CID66762888
|
Local ready
Direct docking supported
|
|
E3L005127
BDB005127
|
BDBM116958
NC(=O)c1cccc2c(NCC3CC=CC(=NC(O)c4ccn[nH]4)C3)ncnc12
|
C20H21N7O2 391.435000 |
WHOKGFKDKLABFY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116958; PubChem:CID123669457
|
Local ready
Direct docking supported
|
|
E3L005128
BDB005128
|
BDBM116959
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc(C5CC5)n[nH]4)c3)ncnc12
|
C23H21N7O2 427.468000 |
QJMIUPZFDRLJHJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116959; PubChem:CID66763617
|
Local ready
Direct docking supported
|
|
E3L005129
BDB005129
|
BDBM116960
NC(=O)c1cccc2c(NC(CCN3CCCC3)c3cccc(NC(=O)c4ccc(C(F)(F)F)cc4F)c3)ncnc12
|
C30H28F4N6O2 580.586000 |
WZUHEGHSWVPEGA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116960; PubChem:CID68078917
|
Local ready
Direct docking supported
|
|
E3L005130
BDB005130
|
BDBM116961
COc1cccc(OC)c1C(=O)Nc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
|
C25H23N5O4 457.490000 |
YNNQCQWREXRBLV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116961; PubChem:CID66764091
|
Local ready
Direct docking supported
|
|
E3L005131
BDB005131
|
BDBM116962
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4F)c3)ncnc12
|
C23H18FN5O2 415.428000 |
RKQAHDJYVWGPCS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116962; PubChem:CID66762255
|
Local ready
Direct docking supported
|
|
E3L005132
BDB005132
|
BDBM116963
CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)c(F)c2)c1
|
C26H24FN5O3 473.508000 |
YRMFDWPQZRSCJJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116963; PubChem:CID68078944
|
Local ready
Direct docking supported
|
|
E3L005133
BDB005133
|
BDBM116964
NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4cc(C(F)(F)F)ccc4F)c3)ncnc12
|
C31H30F4N6O2 594.613000 |
RPNCUMDQEOYYNO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116964; PubChem:CID68078951
|
Local ready
Direct docking supported
|
|
E3L005134
BDB005134
|
BDBM116965
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(N)c1
|
C17H17N5O 307.357000 |
UOYTTXGBPMYPLE-SNVBAGLBSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116965; PubChem:CID66762892
|
Local ready
Direct docking supported
|
|
E3L005135
BDB005135
|
BDBM116966
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC(F)(F)F)c(F)c2)c1
|
C25H19F4N5O3 513.451000 |
QJGKIKAFWQXPCF-CYBMUJFWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116966; PubChem:CID66763601
|
Local ready
Direct docking supported
|
|
E3L005136
BDB005136
|
BDBM116967
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1
|
C29H30N6O2 494.599000 |
QHLGSHJIJSOCMR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116967; PubChem:CID66763099
|
Local ready
Direct docking supported
|
|
E3L005137
BDB005137
|
BDBM116968
NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(O)c4ccccc4)c3)ncnc12
|
C30H34N6O2 510.642000 |
VYOUAZSLWNSVRL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116968; PubChem:CID68078891
|
Local ready
Direct docking supported
|
|
E3L005138
BDB005138
|
BDBM116969
NC(=O)c1cccc2c(NCc3ccc(F)c(NC(=O)c4ccc(OC(F)(F)F)cc4)c3)ncnc12
|
C24H17F4N5O3 499.424000 |
UQDBHQAEMZNPSQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116969; PubChem:CID66762573
|
Local ready
Direct docking supported
|
|
E3L005139
BDB005139
|
BDBM116970
COc1ccc(C(=O)Nc2cccc(C(CCN3CCCC3)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1
|
C30H32N6O3 524.625000 |
RNIRTUIZMXHJGS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116970; PubChem:CID66763574
|
Local ready
Direct docking supported
|
|
E3L005140
BDB005140
|
BDBM116971
COc1ccc(C(=O)Nc2cccc(C(CCN3CCC3)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1
|
C29H30N6O3 510.598000 |
OPQNQTLSYVBRSX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116971; PubChem:CID66764095
|
Local ready
Direct docking supported
|