| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L032041
BDB032041
|
US11884671, Example 35
Cc1cc2ncccc2cc1Nc1ncc2c(n1)n(C1CCS(=O)(=O)CC1)c(=O)n2C
|
C21H22N6O3S 438.513000 |
BOFHDXMYNTVCRY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648258; PubChem:CID146275584
|
Local ready
Direct docking supported
|
|
E3L032042
BDB032042
|
US11884671, Example 36
Cc1cc2ncccc2cc1Nc1ncc2c(n1)n(C1COC1)c(=O)n2C
|
C19H18N6O2 362.393000 |
SKLZRGKNDWBPBV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648259; PubChem:CID146275592
|
Local ready
Direct docking supported
|
|
E3L032043
BDB032043
|
US11884671, Example 38
Cc1cc2ncccc2cc1Nc1ncc2c(n1)n([C@@H]1CCNC[C@@H]1F)c(=O)n2C
|
C21H22FN7O 407.453000 |
SBQPCUHPOICHOA-WMLDXEAASA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648261; PubChem:CID146275594
|
Local ready
Direct docking supported
|
|
E3L032044
BDB032044
|
US11884671, Example 39
Cc1cc2ncccc2cc1Nc1ncc2c(n1)n(C1CCC(C)(N)CC1)c(=O)n2C
|
C23H27N7O 417.517000 |
HDZZOAIRZGGAEX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648262; PubChem:CID146275583
|
Local ready
Direct docking supported
|
|
E3L032045
BDB032045
|
US11884671, Example 39
Cc1cc2ncccc2cc1Nc1ncc2c(n1)n(C1CCC(C)(N)CC1)c(=O)n2C
|
C23H27N7O 417.517000 |
HDZZOAIRZGGAEX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648263; PubChem:CID146275583
|
Local ready
Direct docking supported
|
|
E3L032046
BDB032046
|
US11884671, Example 46
Cc1cc2ncccc2cc1Nc1ncc2c(n1)n([C@@H]1CCN(C)C[C@@H]1F)c(=O)n2C
|
C22H24FN7O 421.480000 |
QPINTBJPFCRLIF-MAUKXSAKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648269; PubChem:CID146275538
|
Local ready
Direct docking supported
|
|
E3L032047
BDB032047
|
US11884671, Example 47
Cc1cc2ncccc2cc1Nc1ncc2c(n1)n(C1CCN(C3COC3)CC1)c(=O)n2C
|
C24H27N7O2 445.527000 |
VVNIXDHYDNBJNQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648270; PubChem:CID146275489
|
Local ready
Direct docking supported
|
|
E3L032048
BDB032048
|
US11884671, Example 48
Cc1cc2ncccc2cc1Nc1ncc2c(n1)n(C1CCN(CCO)CC1)c(=O)n2C
|
C23H27N7O2 433.516000 |
HQRAUCZMEGLPMN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648271; PubChem:CID146275599
|
Local ready
Direct docking supported
|
|
E3L032049
BDB032049
|
US11884671, Example 49
COCCN1CCC(n2c(=O)n(C)c3cnc(Nc4cc5cccnc5cc4C)nc32)CC1
|
C24H29N7O2 447.543000 |
WQOXIJCUFDXZHV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648272; PubChem:CID146275602
|
Local ready
Direct docking supported
|
|
E3L032050
BDB032050
|
US11884671, Example 50
CCN1CCC(n2c(=O)n(C)c3cnc(Nc4cc5cccnc5cc4C)nc32)CC1
|
C23H27N7O 417.517000 |
KLZAKTUEWBYFPI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648273; PubChem:CID146275591
|
Local ready
Direct docking supported
|
|
E3L032051
BDB032051
|
US11884671, Example 51
CC(=O)N1CCC(n2c(=O)n(C)c3cnc(Nc4cc5cccnc5cc4C)nc32)CC1
|
C23H25N7O2 431.500000 |
ULQULMSAPNKHSI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648274; PubChem:CID146275539
|
Local ready
Direct docking supported
|
|
E3L032052
BDB032052
|
BDBM648290
C[C@H]1COCCN1c1cc(NC(=O)Cn2cc(-c3cc(Cl)c(O)c(C(N)=O)c3)c3c(=O)n(C)cnc32)c(Cl)cn1
|
C26H25Cl2N7O5 586.436000 |
NDRFFOKFYGUOKD-ZDUSSCGKSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM648290
|
Local ready
Direct docking supported
|
|
E3L032053
BDB032053
|
Oicr 11600D
CCOc1cc(-c2cn(CC(=O)Nc3cc(N4CCOC[C@@H]4C)ncc3Cl)c3ncn(C)c(=O)c23)cc(C(N)=O)c1O
|
C28H30ClN7O6 596.044000 |
PWMORLQFVWCZTJ-HNNXBMFYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM648292; PubChem:CID155222618
|
Local ready
Direct docking supported
|
|
E3L032054
BDB032054
|
acsmedchemlett.2c00502 OICR 3428A, 6
Cn1ccc2c(ccn2CC(=O)Nc2ccc(F)cc2F)c1=O
|
C16H13F2N3O2 317.295000 |
LHSCTODQGDGEBY-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM648353; PubChem:CID46395581
|
Local ready
Direct docking supported
|
|
E3L032055
BDB032055
|
acsmedchemlett.2c00502 OICR 4186A, 7
Cn1ccc2c(ccn2CC(=O)Nc2ccccc2Cl)c1=O
|
C16H14ClN3O2 315.760000 |
DGVNGICQOLEDHR-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM648354; PubChem:CID46395579
|
Local ready
Direct docking supported
|
|
E3L032056
BDB032056
|
BDBM648355
O=C(Cn1ccc2c(=O)[nH]ccc21)Nc1ccccc1F
|
C15H12FN3O2 285.278000 |
NSAODCJTBHVITE-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM648355; PubChem:CID171349675
|
Local ready
Direct docking supported
|
|
E3L032057
BDB032057
|
acsmedchemlett.2c00502 OICR 7508A, 9
Cn1ccc2c(ccn2CC(=O)Nc2ccccc2F)c1=O
|
C16H14FN3O2 299.305000 |
NCCRDNMYLCIAPZ-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM648356; PubChem:CID171034107
|
Local ready
Direct docking supported
|
|
E3L032058
BDB032058
|
BDBM648357
Cn1ccc2c(ccn2CC(=O)Nc2ccccc2)c1=O
|
C16H15N3O2 281.315000 |
GJWHQKJHWPWJSA-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM648357; PubChem:CID171034108
|
Local ready
Direct docking supported
|
|
E3L032059
BDB032059
|
BDBM648358
Cn1ccc2c(ccn2CC(=O)Nc2ccncc2Cl)c1=O
|
C15H13ClN4O2 316.748000 |
HIQOPYVKOWIEFP-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM648358; PubChem:CID164664332
|
Local ready
Direct docking supported
|
|
E3L032060
BDB032060
|
acsmedchemlett.2c00502 OICR 7510A, 12
Cn1ccc2c(ccn2CC(=O)Nc2ccc(C#N)cc2Cl)c1=O
|
C17H13ClN4O2 340.770000 |
ISVURGOCTGLWNC-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM648359; PubChem:CID171034109
|
Local ready
Direct docking supported
|