| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L033761
BDB033761
|
US20240166635, Example 99a
NS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(O[C@H]3CCC[C@H]3O)n2)cc1
|
C16H17F3N4O4S 418.397000 |
ALDIKYMFXCVIAW-OLZOCXBDSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676379; PubChem:CID167090063
|
Local ready
Direct docking supported
|
|
E3L033762
BDB033762
|
US20240166635, Example 100a
CNS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(O[C@H]3CCOC[C@H]3O)n2)cc1
|
C17H19F3N4O5S 448.423000 |
PCCSUZXFRYBZTH-KGLIPLIRSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676381; PubChem:CID167090320
|
Local ready
Direct docking supported
|
|
E3L033763
BDB033763
|
US20240166635, Example 101a
CNS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(O[C@H]3CCOC[C@H]3O)n2)c(F)c1
|
C17H18F4N4O5S 466.413000 |
PNHFLLNBUUXGEW-KGLIPLIRSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676383; PubChem:CID171990658
|
Local ready
Direct docking supported
|
|
E3L033764
BDB033764
|
US20240166635, Example 102a
CNS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(O[C@H]3CCCOC[C@H]3O)n2)cc1
|
C18H21F3N4O5S 462.450000 |
SVFDHGCURGAGIM-CABCVRRESA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676385; PubChem:CID171990660
|
Local ready
Direct docking supported
|
|
E3L033765
BDB033765
|
US20240166635, Example 102b
CNS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(O[C@@H]3CCCOC[C@H]3O)n2)cc1
|
C18H21F3N4O5S 462.450000 |
SVFDHGCURGAGIM-HUUCEWRRSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676386; PubChem:CID171990661
|
Local ready
Direct docking supported
|
|
E3L033766
BDB033766
|
US20240166635, Example 102c
CNS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(O[C@H]3CCCOC[C@@H]3O)n2)cc1
|
C18H21F3N4O5S 462.450000 |
SVFDHGCURGAGIM-GJZGRUSLSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676387; PubChem:CID171990662
|
Local ready
Direct docking supported
|
|
E3L033767
BDB033767
|
US20240166635, Example 102d
CNS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(O[C@@H]3CCCOC[C@@H]3O)n2)cc1
|
C18H21F3N4O5S 462.450000 |
SVFDHGCURGAGIM-LSDHHAIUSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676388; PubChem:CID171990663
|
Local ready
Direct docking supported
|
|
E3L033768
BDB033768
|
US20240166635, Example 104a
C[C@@]1(O)COC[C@@H]1Oc1nc(NC2CCN(S(C)(=O)=O)CC2)ncc1C(F)(F)F
|
C16H23F3N4O5S 440.444000 |
MWILTCFDLRXJDY-SWLSCSKDSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676391; PubChem:CID167090148
|
Local ready
Direct docking supported
|
|
E3L033769
BDB033769
|
US20240166635, Example 105a
CNS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(OC3CCCC3O)n2)cc1
|
C17H19F3N4O4S 432.424000 |
ARZCNFVGTWMROY-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676393; PubChem:CID167090112
|
Local ready
Direct docking supported
|
|
E3L033770
BDB033770
|
US20240166635, Example 106a
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(OC3CCCC3O)n2)cc1
|
C19H23F3N4O4S 460.478000 |
YTRZTOPIENEURB-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676395; PubChem:CID167090110
|
Local ready
Direct docking supported
|
|
E3L033771
BDB033771
|
US20240166635, Example 107a
O=S(=O)(NC1CC1)c1ccc(Nc2ncc(C(F)(F)F)c(OC3CCCC3O)n2)cc1
|
C19H21F3N4O4S 458.462000 |
PPASDCICDCXUJF-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676397; PubChem:CID167090352
|
Local ready
Direct docking supported
|
|
E3L033772
BDB033772
|
US20240166635, Example 108
CNS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(OC3CCCC3)n2)cc1
|
C17H19F3N4O3S 416.425000 |
OURKCQIQALLKJV-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676399; PubChem:CID171990665
|
Local ready
Direct docking supported
|
|
E3L033773
BDB033773
|
US20240166635, Example 111a
NS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(OC3CCCCC3O)n2)cc1
|
C17H19F3N4O4S 432.424000 |
ZWWQVYKYWCWYFJ-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676404; PubChem:CID167090243
|
Local ready
Direct docking supported
|
|
E3L033774
BDB033774
|
US20240166635, Example 112a
CC1CCCC(O)C1Oc1nc(Nc2ccc(S(N)(=O)=O)cc2)ncc1C(F)(F)F
|
C18H21F3N4O4S 446.451000 |
VGDVUMYVXOQBNE-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676406; PubChem:CID167090018
|
Local ready
Direct docking supported
|
|
E3L033775
BDB033775
|
US20240166635, Example 114a
NS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(OC3CCOCC3O)n2)cc1
|
C16H17F3N4O5S 434.396000 |
PYWQHGIYYMEYGG-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676410; PubChem:CID167090335
|
Local ready
Direct docking supported
|
|
E3L033776
BDB033776
|
US20240166635, Example 115a
NS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(OC3COCCC3O)n2)cc1
|
C16H17F3N4O5S 434.396000 |
WRWISRXAEHTYJK-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676412; PubChem:CID167089957
|
Local ready
Direct docking supported
|
|
E3L033777
BDB033777
|
US20240166635, Example 116a
CNS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(OC3CCOCC3O)n2)cc1
|
C17H19F3N4O5S 448.423000 |
PCCSUZXFRYBZTH-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676414; PubChem:CID167089956
|
Local ready
Direct docking supported
|
|
E3L033778
BDB033778
|
US20240166635, Example 117a
CNS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(OC3COCCC3O)n2)cc1
|
C17H19F3N4O5S 448.423000 |
VOMODKIWVHCAIR-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676416; PubChem:CID171990666
|
Local ready
Direct docking supported
|
|
E3L033779
BDB033779
|
US20240166635, Example 118a
NS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(OC3CCCCCC3O)n2)cc1
|
C18H21F3N4O4S 446.451000 |
BHEVXPKVRPTJTA-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676418; PubChem:CID167090127
|
Local ready
Direct docking supported
|
|
E3L033780
BDB033780
|
US20240166635, Example 119a
CS(=O)(=O)C1CCC(Nc2ncc(C(F)(F)F)c(OC3CCCC3O)n2)CC1
|
C17H24F3N3O4S 423.457000 |
KTSBBQZIUKTLBK-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676420; PubChem:CID171581948
|
Local ready
Direct docking supported
|