| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L033781
BDB033781
|
US20240166635, Example 120a
CS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(OC3CCCCC3O)n2)CC1
|
C17H25F3N4O4S 438.472000 |
LLJFUISHLUDNSH-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676422; PubChem:CID167090158
|
Local ready
Direct docking supported
|
|
E3L033782
BDB033782
|
US20240166635, Example 121a
CS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(OC3CCCCCC3O)n2)CC1
|
C18H27F3N4O4S 452.499000 |
ITKOZHPPZHBFOM-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676424; PubChem:CID167090100
|
Local ready
Direct docking supported
|
|
E3L033783
BDB033783
|
US20240166635, Example 122a
NS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(OC3CCCCCC3O)n2)CC1
|
C17H26F3N5O4S 453.487000 |
LJAFGINNHCYOKR-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676426; PubChem:CID167090101
|
Local ready
Direct docking supported
|
|
E3L033784
BDB033784
|
US20240166635, Example 123a
CNS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(OC3CCCCCC3O)n2)CC1
|
C18H28F3N5O4S 467.514000 |
LNWDZMBWOAKXFT-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676428; PubChem:CID167089970
|
Local ready
Direct docking supported
|
|
E3L033785
BDB033785
|
US20240166635, Example 124a
CC1(O)COCCC1Oc1nc(NC2CCN(S(C)(=O)=O)CC2)ncc1C(F)(F)F
|
C17H25F3N4O5S 454.471000 |
MGXMGVUPCOMEOS-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676430; PubChem:CID167090359
|
Local ready
Direct docking supported
|
|
E3L033786
BDB033786
|
US20240166635, Example 125a
Cn1cc(S(=O)(=O)N2CCC(Nc3ncc(C(F)(F)F)c(OC4CCOCC4(C)O)n3)CC2)cn1
|
C20H27F3N6O5S 520.534000 |
KXDROPRNEYFQHH-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676432; PubChem:CID167090017
|
Local ready
Direct docking supported
|
|
E3L033787
BDB033787
|
US20240166635, Example 126
CS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(OC3CCC3)n2)CC1
|
C15H21F3N4O3S 394.419000 |
PURBWBJEHYPPFZ-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676434; PubChem:CID167090223
|
Local ready
Direct docking supported
|
|
E3L033788
BDB033788
|
US20240166635, Example 127
CS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(OC3CCCCC3)n2)CC1
|
C17H25F3N4O3S 422.473000 |
SXBXSQCRXJFCCE-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676435; PubChem:CID167090220
|
Local ready
Direct docking supported
|
|
E3L033789
BDB033789
|
US20240166635, Example 128
CC1(COc2nc(NC3CCN(S(C)(=O)=O)CC3)ncc2C(F)(F)F)CCCC1
|
C18H27F3N4O3S 436.500000 |
PFPUFIQGDNYBND-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676436; PubChem:CID167090222
|
Local ready
Direct docking supported
|
|
E3L033790
BDB033790
|
US20240166635, Example 129
CNS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(OC3CCCCCC3)n2)CC1
|
C18H28F3N5O3S 451.515000 |
CXABQNFLIBANJT-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676437; PubChem:CID167090107
|
Local ready
Direct docking supported
|
|
E3L033791
BDB033791
|
US20240166635, Example 130a
O=S(=O)(NC1CCOCC1)c1ccc(Nc2ncc(Cl)c(O[C@H]3CCC[C@H]3O)n2)cc1
|
C20H25ClN4O5S 468.963000 |
VRFZDEOOGRCBHS-MSOLQXFVSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676438; PubChem:CID167090076
|
Local ready
Direct docking supported
|
|
E3L033792
BDB033792
|
US20240166635, Example 131a
CC1(NS(=O)(=O)c2ccc(Nc3ncc(Br)c(O[C@H]4CCC[C@H]4O)n3)cc2)COC1
|
C19H23BrN4O5S 499.387000 |
UPTWBJNAWIDIOT-CVEARBPZSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676440; PubChem:CID167090230
|
Local ready
Direct docking supported
|
|
E3L033793
BDB033793
|
US20240166635, Example 132a
Cc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1O[C@H]1CCC[C@H]1O
|
C16H20N4O4S 364.427000 |
UGHLOFSFUSXPNA-KGLIPLIRSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676442; PubChem:CID167089951
|
Local ready
Direct docking supported
|
|
E3L033794
BDB033794
|
US20240166635, Example 133a
CCc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1O[C@H]1CCC[C@H]1O
|
C17H22N4O4S 378.454000 |
JADLERCCPNPQHG-CABCVRRESA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676444; PubChem:CID167090028
|
Local ready
Direct docking supported
|
|
E3L033795
BDB033795
|
US20240166635, Example 134a
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(C3CC3)c(O[C@H]3CCC[C@H]3O)n2)cc1
|
C21H28N4O4S 432.546000 |
RXQUQZRKAFSXQT-MOPGFXCFSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676446; PubChem:CID169915556
|
Local ready
Direct docking supported
|
|
E3L033796
BDB033796
|
US20240166635, Example 135a
C=C(F)c1cnc(Nc2ccc(S(=O)(=O)NC)cc2)nc1O[C@H]1CCC[C@H]1O
|
C18H21FN4O4S 408.455000 |
QXSFFHMNHMKKGS-CVEARBPZSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676448; PubChem:CID171990672
|
Local ready
Direct docking supported
|
|
E3L033797
BDB033797
|
US20240166635, Example 136a
NS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(OC3CCCC3O)n2)cc1
|
C16H17F3N4O4S 418.397000 |
ALDIKYMFXCVIAW-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676450; PubChem:CID167089954
|
Local ready
Direct docking supported
|
|
E3L033798
BDB033798
|
US20240166635, Example 137a
CNS(=O)(=O)c1ccc(Nc2ncc(Cl)c(OC3CCCC3O)n2)cc1
|
C16H19ClN4O4S 398.872000 |
QWNPBVNMKNDQGI-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676452; PubChem:CID167090201
|
Local ready
Direct docking supported
|
|
E3L033799
BDB033799
|
US20240166635, Example 138a
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(Cl)c(OC3CCCC3O)n2)cc1
|
C18H23ClN4O4S 426.926000 |
PMWBBNBMWPQOEF-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676454; PubChem:CID167090010
|
Local ready
Direct docking supported
|
|
E3L033800
BDB033800
|
US20240166635, Example 139a
CN1CCC(NS(=O)(=O)c2ccc(Nc3ncc(Cl)c(OC4CCCC4O)n3)cc2)CC1
|
C21H28ClN5O4S 482.006000 |
IXDIKQYUVPRTQH-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676456; PubChem:CID167090026
|
Local ready
Direct docking supported
|