| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L030841
BDB030841
|
Cdk7-IN-7
COC(=O)Nc1ccc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1Br
|
C20H20BrF3N6O2 513.318000 |
CZGJOYSALAXVAZ-JTQLQIEISA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619377; PubChem:CID162641734
|
Local ready
Direct docking supported
|
|
E3L030842
BDB030842
|
US20230295130, Example T-02
COC(=O)Nc1ccc2c(-c3nc(O[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1Br
|
C20H19BrF3N5O3 514.302000 |
XDPCLVXDBSYDFE-JTQLQIEISA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619378; PubChem:CID169428847
|
Local ready
Direct docking supported
|
|
E3L030843
BDB030843
|
US20230295130, Example T-03
O=C1CCCCN1c1ccc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1Br
|
C23H24BrF3N6O 537.384000 |
HCSQABZNINVZJR-ZDUSSCGKSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619379; PubChem:CID169428848
|
Local ready
Direct docking supported
|
|
E3L030844
BDB030844
|
US20230295130, Example T-04
O=C1CCCN1c1ccc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1Br
|
C22H22BrF3N6O 523.357000 |
LAIPNFZZXOAHAB-LBPRGKRZSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619380; PubChem:CID169428849
|
Local ready
Direct docking supported
|
|
E3L030845
BDB030845
|
US20230295130, Example T-05
CN1CCC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4cc(N5CCCC5=O)ccc34)n2)C1
|
C23H25F3N6O 458.488000 |
QTNJODOYENNLKJ-AWEZNQCLSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619381; PubChem:CID169428850
|
Local ready
Direct docking supported
|
|
E3L030846
BDB030846
|
US20230295130, Example T-06
O=C1OCCCN1c1ccc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1Br
|
C22H22BrF3N6O2 539.356000 |
RUIUCWIBVBHCNR-LBPRGKRZSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619382; PubChem:CID169428851
|
Local ready
Direct docking supported
|
|
E3L030847
BDB030847
|
US20230295130, Example T-07
CC1(C)COC(Nc2ccc3c(-c4nc(N[C@H]5CCCNC5)ncc4C(F)(F)F)c[nH]c3c2Br)=N1
|
C23H25BrF3N7O 552.399000 |
UIUZXJMVBGOWMB-LBPRGKRZSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619383; PubChem:CID169428852
|
Local ready
Direct docking supported
|
|
E3L030848
BDB030848
|
US20230295130, Example T-08
O=C(Nc1ccc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1Br)C1CC1
|
C22H22BrF3N6O 523.357000 |
FZNLOMMGDFRDGV-LBPRGKRZSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619384; PubChem:CID169428853
|
Local ready
Direct docking supported
|
|
E3L030849
BDB030849
|
US20230295130, Example T-09
CC(=O)Nc1ccc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1Br
|
C20H20BrF3N6O 497.319000 |
ITLDSJBNICIJFR-NSHDSACASA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619385; PubChem:CID169428854
|
Local ready
Direct docking supported
|
|
E3L030850
BDB030850
|
US20230295130, Example T-10
CC(=O)Nc1ccc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1
|
C20H21F3N6O 418.423000 |
YPUVMABVJJYNNF-ZDUSSCGKSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619386; PubChem:CID169428855
|
Local ready
Direct docking supported
|
|
E3L030851
BDB030851
|
US20230295130, Example T-11
O=C(Nc1ccc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1)C1CC1
|
C22H23F3N6O 444.461000 |
OBGLQEMYHNWRSZ-AWEZNQCLSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619387; PubChem:CID169428856
|
Local ready
Direct docking supported
|
|
E3L030852
BDB030852
|
US20230295130, Example T-12
O=C1OCCN1c1ccc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1Br
|
C21H20BrF3N6O2 525.329000 |
XYCPJJUMBSGHDJ-NSHDSACASA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619388; PubChem:CID169428857
|
Local ready
Direct docking supported
|
|
E3L030853
BDB030853
|
US20230295130, Example T-13
O=C1CCCN1c1ccc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1
|
C22H23F3N6O 444.461000 |
GNRDRNMOWSLDHN-ZDUSSCGKSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619389; PubChem:CID169428858
|
Local ready
Direct docking supported
|
|
E3L030854
BDB030854
|
US20230295130, Example T-14
COC(=O)Nc1ccc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1P(C)(C)=O
|
C22H26F3N6O3P 510.457000 |
QPCXRINTFWLOTO-LBPRGKRZSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619390; PubChem:CID163907360
|
Local ready
Direct docking supported
|
|
E3L030855
BDB030855
|
US20230295130, Example T-15
CC(=O)Nc1ccc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1P(C)(C)=O
|
C22H26F3N6O2P 494.458000 |
SYAZSYBSWRYSNN-ZDUSSCGKSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619391; PubChem:CID163980609
|
Local ready
Direct docking supported
|
|
E3L030856
BDB030856
|
US20230295130, Example T-16
COC(=O)Nc1ccc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1
|
C20H21F3N6O2 434.422000 |
LKYTYBSNKUGNMV-LBPRGKRZSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619392; PubChem:CID169428859
|
Local ready
Direct docking supported
|
|
E3L030857
BDB030857
|
US20230295130, Example T-17
COC(=O)Nc1ccc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1C1CC1
|
C23H25F3N6O2 474.487000 |
MVAPZYWWIGWDCI-ZDUSSCGKSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619393; PubChem:CID169428860
|
Local ready
Direct docking supported
|
|
E3L030858
BDB030858
|
US20230295130, Example T-18
O=C1CCN1c1ccc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1Br
|
C21H20BrF3N6O 509.330000 |
IZVOOKJLIIVAGO-NSHDSACASA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619394; PubChem:CID169428861
|
Local ready
Direct docking supported
|
|
E3L030859
BDB030859
|
US20230295130, Example T-19
COC(=O)Nc1ccc2c(-c3nc(NC4CC5(CNC5)C4)ncc3C(F)(F)F)c[nH]c2c1Br
|
C21H20BrF3N6O2 525.329000 |
TVAJQMOTNSNWDG-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619395; PubChem:CID169428862
|
Local ready
Direct docking supported
|
|
E3L030860
BDB030860
|
US20230295130, Example T-20
COC(=O)Nc1ccc2c(-c3nc(N[C@H]4CCC[C@H](N)C4)ncc3C(F)(F)F)c[nH]c2c1Br
|
C21H22BrF3N6O2 527.345000 |
ZAJJKAMAVZFYPQ-QWRGUYRKSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619396; PubChem:CID169428863
|
Local ready
Direct docking supported
|