| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L033701
BDB033701
|
US20240166635, Example 27
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCC[C@H]3O)n2)cc1
|
C19H23N5O4S 417.491000 |
ROCHEUVEICUFRE-TZHYSIJRSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676281; PubChem:CID167090302
|
Local ready
Direct docking supported
|
|
E3L033702
BDB033702
|
US20240166635, Example 31a
N#Cc1cnc(Nc2ccc(S(=O)(=O)NC3CC(F)C3)cc2)nc1OC1CCCCC1O
|
C21H24FN5O4S 461.519000 |
XSIFVBNGGAAWSP-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676287; PubChem:CID171990654
|
Local ready
Direct docking supported
|
|
E3L033703
BDB033703
|
US20240166635, Example 31a
N#Cc1cnc(Nc2ccc(S(=O)(=O)NC3CC(F)C3)cc2)nc1OC1CCCCC1O
|
C21H24FN5O4S 461.519000 |
XSIFVBNGGAAWSP-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676289; PubChem:CID171990654
|
Local ready
Direct docking supported
|
|
E3L033704
BDB033704
|
US20240166635, Example 33a
CNS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCCOCC3)n2)cc1
|
C18H21N5O4S 403.464000 |
LYXRABIWUDHHOT-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676291; PubChem:CID171990655
|
Local ready
Direct docking supported
|
|
E3L033705
BDB033705
|
US20240166635, Example 34a
CNS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCCC3(C)O)n2)cc1
|
C18H21N5O4S 403.464000 |
QMXSDPDZRQFBHB-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676293; PubChem:CID167090173
|
Local ready
Direct docking supported
|
|
E3L033706
BDB033706
|
US20240166635, Example 35a
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCCC3(C)O)n2)cc1
|
C20H25N5O4S 431.518000 |
KGLRDVBOUHMCJQ-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676295; PubChem:CID167089955
|
Local ready
Direct docking supported
|
|
E3L033707
BDB033707
|
US20240166635, Example 36a
CCS(=O)(=O)N1CCC(Nc2ncc(C#N)c(OC3CCCC3(C)O)n2)CC1
|
C18H27N5O4S 409.512000 |
YOHCMXQAXUTESC-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676297; PubChem:CID167090011
|
Local ready
Direct docking supported
|
|
E3L033708
BDB033708
|
US20240166635, Example 37a
CC1(O)CCCC1Oc1nc(NC2CCN(S(=O)(=O)CF)CC2)ncc1C#N
|
C17H24FN5O4S 413.475000 |
IVURPCHRYKNZNK-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676299; PubChem:CID167090012
|
Local ready
Direct docking supported
|
|
E3L033709
BDB033709
|
US20240166635, Example 38a
CC1(O)CCCC1Oc1nc(NC2CCN(S(=O)(=O)CC3CC3)CC2)ncc1C#N
|
C20H29N5O4S 435.550000 |
RFQTYMYGZAUINI-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676301; PubChem:CID167090103
|
Local ready
Direct docking supported
|
|
E3L033710
BDB033710
|
US20240166635, Example 39a
CC(C)CS(=O)(=O)N1CCC(Nc2ncc(C#N)c(OC3CCCC3(C)O)n2)CC1
|
C20H31N5O4S 437.566000 |
MTDAFJHVIZBORH-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676303; PubChem:CID171582096
|
Local ready
Direct docking supported
|
|
E3L033711
BDB033711
|
US20240166635, Example 40a
CC1(O)CCCC1Oc1nc(NC2CCN(S(=O)(=O)CC3CCOC3)CC2)ncc1C#N
|
C21H31N5O5S 465.576000 |
KBKJXHHYCYMRHQ-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676305; PubChem:CID167090175
|
Local ready
Direct docking supported
|
|
E3L033712
BDB033712
|
US20240166635, Example 41a
COCCS(=O)(=O)N1CCC(Nc2ncc(C#N)c(OC3CCCC3(C)O)n2)CC1
|
C19H29N5O5S 439.538000 |
WNPAEAQXLNHGQL-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676307; PubChem:CID167090099
|
Local ready
Direct docking supported
|
|
E3L033713
BDB033713
|
US20240166635, Example 42a
CC1(O)CCCC1Oc1nc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)ncc1C#N
|
C17H22F3N5O4S 449.455000 |
NYDBQVDGDFSUFN-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676309; PubChem:CID171581921
|
Local ready
Direct docking supported
|
|
E3L033714
BDB033714
|
US20240166635, Example 43a
CC1(O)CCCC1Oc1nc(NC2CCN(S(=O)(=O)CC(F)(F)F)CC2)ncc1C#N
|
C18H24F3N5O4S 463.482000 |
TXBBMRZBMVLLAQ-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676311; PubChem:CID167090053
|
Local ready
Direct docking supported
|
|
E3L033715
BDB033715
|
US20240166635, Example 44a
CC1(O)CC(F)(F)CC1Oc1nc(NC2CCN(S(=O)(=O)CC3CC3)CC2)ncc1C#N
|
C20H27F2N5O4S 471.530000 |
UAAXTVOYMWPDBQ-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676313; PubChem:CID167090055
|
Local ready
Direct docking supported
|
|
E3L033716
BDB033716
|
US20240166635, Example 45a
CC1(O)COCCC1Oc1nc(NC2CCN(S(C)(=O)=O)CC2)ncc1C#N
|
C17H25N5O5S 411.484000 |
KXJILSLZMSOTHK-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676315; PubChem:CID167090344
|
Local ready
Direct docking supported
|
|
E3L033717
BDB033717
|
US20240166635, Example 46a
CC1(O)CCC(F)(F)CC1Oc1nc(NC2CCN(S(C)(=O)=O)CC2)ncc1C#N
|
C18H25F2N5O4S 445.492000 |
YXQIJCZYWYSLMZ-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676317; PubChem:CID167090343
|
Local ready
Direct docking supported
|
|
E3L033718
BDB033718
|
US20240166635, Example 47a
CC1(O)CC(F)(F)CCC1Oc1nc(NC2CCN(S(C)(=O)=O)CC2)ncc1C#N
|
C18H25F2N5O4S 445.492000 |
UAACCBHMQBQBIY-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676319; PubChem:CID167090342
|
Local ready
Direct docking supported
|
|
E3L033719
BDB033719
|
US20240166635, Example 48a
Cn1cc(S(=O)(=O)N2CCC(Nc3ncc(C#N)c(OC4CCCC4(C)O)n3)CC2)cn1
|
C20H27N7O4S 461.548000 |
TYCIGEQMTDJQIM-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676321; PubChem:CID167090349
|
Local ready
Direct docking supported
|
|
E3L033720
BDB033720
|
US20240166635, Example 49a
Cn1cc(S(=O)(=O)N2CCC(Nc3ncc(C#N)c(OC4CCCC4(C)O)n3)C(F)C2)cn1
|
C20H26FN7O4S 479.538000 |
AIPDCXCWEXJHRH-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676323; PubChem:CID167090234
|
Local ready
Direct docking supported
|