| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L033681
BDB033681
|
US20240166635, Example 1
N#Cc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1OCC1CCCC1
|
C17H19N5O3S 373.438000 |
KDYMFYUQBRLCPF-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676208; PubChem:CID167090124
|
Local ready
Direct docking supported
|
|
E3L033682
BDB033682
|
US20240166635, Example 2a
N#Cc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1O[C@H]1CCCC[C@H]1O
|
C17H19N5O4S 389.437000 |
FMDFEAPBRWULAI-CABCVRRESA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676209; PubChem:CID167090065
|
Local ready
Direct docking supported
|
|
E3L033683
BDB033683
|
US20240166635, Example 3b
C[C@@]1(O)CCC[C@H]1Oc1nc(NC2CCN(S(C)(=O)=O)CC2)ncc1C#N
|
C17H25N5O4S 395.485000 |
IETNNOKBNYLBJP-RHSMWYFYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676212; PubChem:CID171990626
|
Local ready
Direct docking supported
|
|
E3L033684
BDB033684
|
US20240166635, Example 4a
C[C@@]1(O)CC(F)(F)C[C@@H]1Oc1nc(NC2CCN(S(C)(=O)=O)CC2)ncc1C#N
|
C17H23F2N5O4S 431.465000 |
OUOWWDXNOOHBGP-XJKSGUPXSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676213; PubChem:CID167090147
|
Local ready
Direct docking supported
|
|
E3L033685
BDB033685
|
US20240166635, Example 6a
C[C@@]1(O)CCC[C@@H]1Oc1nc(N[C@@H]2CCN(S(C)(=O)=O)C[C@@H]2F)ncc1C#N
|
C17H24FN5O4S 413.475000 |
XNTXGZBBRXIZGX-QDEZUTFSSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676217; PubChem:CID167090128
|
Local ready
Direct docking supported
|
|
E3L033686
BDB033686
|
US20240166635, Example 7a
Cn1cc(S(=O)(=O)N2CCC(Nc3ncc(C#N)c(O[C@H]4CCC(F)(F)C[C@@]4(C)O)n3)CC2)cn1
|
C21H27F2N7O4S 511.555000 |
AXRXMZKVXARJEN-FXAWDEMLSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676233; PubChem:CID167089991
|
Local ready
Direct docking supported
|
|
E3L033687
BDB033687
|
US20240166635, Example 7b
Cn1cc(S(=O)(=O)N2CCC(Nc3ncc(C#N)c(O[C@@H]4CCC(F)(F)C[C@@]4(C)O)n3)CC2)cn1
|
C21H27F2N7O4S 511.555000 |
AXRXMZKVXARJEN-YLJYHZDGSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676244; PubChem:CID171990647
|
Local ready
Direct docking supported
|
|
E3L033688
BDB033688
|
US20240166635, Example 8
CC1(COc2nc(NC3CCN(S(=O)(=O)c4cn[nH]c4)CC3)ncc2C#N)CCCC1
|
C20H27N7O3S 445.549000 |
LRSWKUYIXWJVFN-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676245; PubChem:CID167090004
|
Local ready
Direct docking supported
|
|
E3L033689
BDB033689
|
US20240166635, Example 9
N#Cc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1OCC1CCC1
|
C16H17N5O3S 359.411000 |
TZUUUOFIEZNZEI-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676246; PubChem:CID167090216
|
Local ready
Direct docking supported
|
|
E3L033690
BDB033690
|
US20240166635, Example 10
N#Cc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1OC1CCCC1
|
C16H17N5O3S 359.411000 |
VEZGUWKKHGUXIU-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676248; PubChem:CID167090214
|
Local ready
Direct docking supported
|
|
E3L033691
BDB033691
|
US20240166635, Example 12
CC1(COc2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc2C#N)CCCC1
|
C18H21N5O3S 387.465000 |
ULVXDRPXXHOYNY-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676250; PubChem:CID167090211
|
Local ready
Direct docking supported
|
|
E3L033692
BDB033692
|
US20240166635, Example 14
CC1(COc2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc2C#N)CCCCC1
|
C19H23N5O3S 401.492000 |
KBMATRHLMSLNLI-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676252; PubChem:CID167090218
|
Local ready
Direct docking supported
|
|
E3L033693
BDB033693
|
US20240166635, Example 15
N#Cc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1OCC1(CO)CCCC1
|
C18H21N5O4S 403.464000 |
JDUIELGVEPIVMG-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676253; PubChem:CID167090221
|
Local ready
Direct docking supported
|
|
E3L033694
BDB033694
|
US20240166635, Example 17
N#Cc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1OCC1(CO)CCCCC1
|
C19H23N5O4S 417.491000 |
VOYJSPOKUPFXBV-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676255; PubChem:CID167090212
|
Local ready
Direct docking supported
|
|
E3L033695
BDB033695
|
US20240166635, Example 20a
N#Cc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1OC1CCCC1O
|
C16H17N5O4S 375.410000 |
BFTPBRJJWBLTEE-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676262; PubChem:CID171582037
|
Local ready
Direct docking supported
|
|
E3L033696
BDB033696
|
US20240166635, Example 22a
N#Cc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1OC1CCCCCC1O
|
C18H21N5O4S 403.464000 |
ITGDXSWIUCVGDW-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676268; PubChem:CID167090133
|
Local ready
Direct docking supported
|
|
E3L033697
BDB033697
|
US20240166635, Example 23a
CC1(O)CCCC1Oc1nc(Nc2ccc(S(N)(=O)=O)cc2)ncc1C#N
|
C17H19N5O4S 389.437000 |
VBLLOFSUFOWCAN-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676270; PubChem:CID167090136
|
Local ready
Direct docking supported
|
|
E3L033698
BDB033698
|
US20240166635, Example 24a
CC1(O)CCCCC1Oc1nc(Nc2ccc(S(N)(=O)=O)cc2)ncc1C#N
|
C18H21N5O4S 403.464000 |
DIWKEQSDYXLOJZ-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676276; PubChem:CID167089958
|
Local ready
Direct docking supported
|
|
E3L033699
BDB033699
|
US20240166635, Example 25
N#Cc1cnc(Nc2ccc(S(=O)(=O)NC3CCC3)cc2)nc1OC1CCC[C@H]1O
|
C20H23N5O4S 429.502000 |
CPYMMHGVBXHMBP-QNSVNVJESA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676278; PubChem:CID167089959
|
Local ready
Direct docking supported
|
|
E3L033700
BDB033700
|
US20240166635, Example 26
CNS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCC[C@H]3O)n2)cc1
|
C17H19N5O4S 389.437000 |
HCBVVIFOIUAUCN-GICMACPYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676279; PubChem:CID167090307
|
Local ready
Direct docking supported
|