| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L033721
BDB033721
|
US20240166635, Example 50a
Cn1cnc(S(=O)(=O)N2CCC(Nc3ncc(C#N)c(OC4CCCC4(C)O)n3)CC2)c1
|
C20H27N7O4S 461.548000 |
QCBLVLKFDWENOV-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676327; PubChem:CID167090094
|
Local ready
Direct docking supported
|
|
E3L033722
BDB033722
|
US20240166635, Example 51a
Cn1cnc(S(=O)(=O)N2CCC(Nc3ncc(C#N)c(OC4CCCC4(C)O)n3)CC2)n1
|
C19H26N8O4S 462.536000 |
WNYMMGOZYJKIQP-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676329; PubChem:CID167089946
|
Local ready
Direct docking supported
|
|
E3L033723
BDB033723
|
US20240166635, Example 52
CS(=O)(=O)N1CCC(Nc2ncc(C#N)c(OC3CCCC3)n2)CC1
|
C16H23N5O3S 365.459000 |
NFRIEKMTZDQPPU-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676331; PubChem:CID164855024
|
Local ready
Direct docking supported
|
|
E3L033724
BDB033724
|
US20240166635, Example 53
CC1(COc2nc(NC3CCN(S(C)(=O)=O)CC3)ncc2C#N)CCC1
|
C17H25N5O3S 379.486000 |
IUGKQCKADAUULW-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676332; PubChem:CID167090308
|
Local ready
Direct docking supported
|
|
E3L033725
BDB033725
|
US20240166635, Example 54
CC1(COc2nc(NC3CCN(S(C)(=O)=O)CC3)ncc2C#N)CCCC1
|
C18H27N5O3S 393.513000 |
JVBPIKUNIDNBCH-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676333; PubChem:CID167090305
|
Local ready
Direct docking supported
|
|
E3L033726
BDB033726
|
US20240166635, Example 55
CNS(=O)(=O)N1CCC(Nc2ncc(C#N)c(OCC3(C)CCCC3)n2)CC1
|
C18H28N6O3S 408.528000 |
RTOZTQPNHKYMFF-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676334; PubChem:CID167089916
|
Local ready
Direct docking supported
|
|
E3L033727
BDB033727
|
US20240166635, Example 56
CC1(COc2nc(NC3CCN(S(N)(=O)=O)CC3)ncc2C#N)CCCC1
|
C17H26N6O3S 394.501000 |
WGPONUKJUHDRKT-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676335; PubChem:CID167089921
|
Local ready
Direct docking supported
|
|
E3L033728
BDB033728
|
US20240166635, Example 57
CC1(COc2nc(NC3CCN(S(=O)(=O)CCO)CC3)ncc2C#N)CCCC1
|
C19H29N5O4S 423.539000 |
TUWIDIPOQFITJN-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676336; PubChem:CID167089917
|
Local ready
Direct docking supported
|
|
E3L033729
BDB033729
|
US20240166635, Example 58
COCCS(=O)(=O)N1CCC(Nc2ncc(C#N)c(OCC3(C)CCCC3)n2)CC1
|
C20H31N5O4S 437.566000 |
JZYAYXLXBYQUJR-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676337; PubChem:CID167089924
|
Local ready
Direct docking supported
|
|
E3L033730
BDB033730
|
US20240166635, Example 59
Cn1cc(S(=O)(=O)N2CCC(Nc3ncc(C#N)c(OC4CC5(CCC5)C4)n3)CC2)cn1
|
C21H27N7O3S 457.560000 |
JJTOOCRKQWDIDD-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676338; PubChem:CID171581906
|
Local ready
Direct docking supported
|
|
E3L033731
BDB033731
|
US20240166635, Example 60
Cn1cc(S(=O)(=O)N2CCC(Nc3ncc(C#N)c(OCC4(C)CCC4)n3)CC2)cn1
|
C20H27N7O3S 445.549000 |
ONSDZEZFRFUDNV-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676339; PubChem:CID167089923
|
Local ready
Direct docking supported
|
|
E3L033732
BDB033732
|
US20240166635, Example 61
Cn1cc(S(=O)(=O)N2CCC(Nc3ncc(C#N)c(OCC4(C)CC(F)(F)C4)n3)CC2)cn1
|
C20H25F2N7O3S 481.529000 |
QUWHYVIAUBWWFO-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676340; PubChem:CID171582026
|
Local ready
Direct docking supported
|
|
E3L033733
BDB033733
|
US20240166635, Example 62
Cn1cc(S(=O)(=O)N2CCC(Nc3ncc(C#N)c(OCC4(C)CCCC4)n3)CC2)cn1
|
C21H29N7O3S 459.576000 |
MXLQXNPUTMMXQE-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676341; PubChem:CID167089922
|
Local ready
Direct docking supported
|
|
E3L033734
BDB033734
|
US20240166635, Example 63
Cn1ccc(S(=O)(=O)N2CCC(Nc3ncc(C#N)c(OCC4(C)CCCC4)n3)CC2)n1
|
C21H29N7O3S 459.576000 |
MVTRGLCCCNTBRI-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676342; PubChem:CID167089920
|
Local ready
Direct docking supported
|
|
E3L033735
BDB033735
|
US20240166635, Example 64a
COC1CC(C)(COc2nc(NC3CCN(S(=O)(=O)c4cnn(C)c4)CC3)ncc2C#N)C1
|
C21H29N7O4S 475.575000 |
PRSYHOVETSXLAW-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676343; PubChem:CID167089918
|
Local ready
Direct docking supported
|
|
E3L033736
BDB033736
|
US20240166635, Example 64a
COC1CC(C)(COc2nc(NC3CCN(S(=O)(=O)c4cnn(C)c4)CC3)ncc2C#N)C1
|
C21H29N7O4S 475.575000 |
PRSYHOVETSXLAW-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676344; PubChem:CID167089918
|
Local ready
Direct docking supported
|
|
E3L033737
BDB033737
|
US20240166635, Example 65
N#Cc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1N1CCCCC1
|
C16H18N6O2S 358.427000 |
NBOMRDUNYYSFKM-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676345; PubChem:CID167090089
|
Local ready
Direct docking supported
|
|
E3L033738
BDB033738
|
US20240166635, Example 66
N#Cc1cnc(Nc2ccc(S(=O)(=O)NC3COC3)cc2)nc1N1CCCCC1
|
C19H22N6O3S 414.491000 |
QNPDOIYFTPKZBE-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676346; PubChem:CID167090093
|
Local ready
Direct docking supported
|
|
E3L033739
BDB033739
|
US20240166635, Example 67
N#Cc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1N1CCCC1
|
C15H16N6O2S 344.400000 |
YKFDYHJLVVHLTA-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676347; PubChem:CID167090215
|
Local ready
Direct docking supported
|
|
E3L033740
BDB033740
|
US20240166635, Example 68
N#Cc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1N1CCCCCC1
|
C17H20N6O2S 372.454000 |
MUUHVLDSAITAAO-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM676348; PubChem:CID171581863
|
Local ready
Direct docking supported
|