| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L022721
BDB022721
|
BDBM526652
C=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nc(OC4CCN(C)CC4)nc4c(C(C)C)cnn34)c2)cc1
|
C30H34N8O3 554.655000 |
POKPJQCGBWWRNF-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM526652; PubChem:CID122517791
|
Local ready
Direct docking supported
|
|
E3L022722
BDB022722
|
BDBM526653
C=CC(=O)NC1CCC(C(=O)Nc2cccc(Nc3nc(OC4CCN(C)CC4)nc4c(C(C)C)cnn34)c2)CC1
|
C30H40N8O3 560.703000 |
XBTMRUWGUMUPAK-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM526653; PubChem:CID134295957
|
Local ready
Direct docking supported
|
|
E3L022723
BDB022723
|
BDBM526654
C=CC(=O)N1CCC(C(=O)Nc2cccc(Nc3nc(OC4CCN(C)CC4)nc4c(C(C)C)cnn34)c2)CC1
|
C29H38N8O3 546.676000 |
MONNGBJQTILSJS-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM526654; PubChem:CID122517767
|
Local ready
Direct docking supported
|
|
E3L022724
BDB022724
|
BDBM526655
C=CC(=O)N1CCC(NC(=O)c2cccc(Nc3nc(OC4CCN(C)CC4)nc4c(C(C)C)cnn34)c2)CC1
|
C29H38N8O3 546.676000 |
YDDYNUGTRZIDBE-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM526655; PubChem:CID122517799
|
Local ready
Direct docking supported
|
|
E3L022725
BDB022725
|
BDBM526656
C=CC(=O)N1CCCC(NC(=O)c2cccc(Nc3nc(OC4CCN(C)CC4)nc4c(C(C)C)cnn34)c2)C1
|
C29H38N8O3 546.676000 |
JCNQXQROULXZKW-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM526656; PubChem:CID122517803
|
Local ready
Direct docking supported
|
|
E3L022726
BDB022726
|
BDBM526657
CC(C)c1cnn2c(Nc3cccc(NC(=O)c4ccc(NC(=O)/C=C/CN(C)C)cc4)c3)nc(OC3CCN(C)CC3)nc12
|
C33H41N9O3 611.751000 |
SZJVGVAOKDTNEX-JXMROGBWSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM526657; PubChem:CID122517712
|
Local ready
Direct docking supported
|
|
E3L022727
BDB022727
|
BDBM526658
CC(C)c1cnn2c(Nc3cccc(NC(=O)C4CCC(NC(=O)/C=C/CN(C)C)CC4)c3)nc(OC3CCN(C)CC3)nc12
|
C33H47N9O3 617.799000 |
LFQSGWPPJFRUFY-JXMROGBWSA-N | P51948 | Cyclin-H |
BindingDB
BindingDB:BDBM526658
|
Local ready
Direct docking supported
|
|
E3L022728
BDB022728
|
BDBM526659
CC(C)c1cnn2c(Nc3cccc(NC(=O)[C@H]4CC[C@H](NC(=O)/C=C/CN(C)C)CC4)c3)nc(OC3CCN(C)CC3)nc12
|
C33H47N9O3 617.799000 |
LFQSGWPPJFRUFY-MEQJCYJFSA-N | P51948 | Cyclin-H |
BindingDB
BindingDB:BDBM526659
|
Local ready
Direct docking supported
|
|
E3L022729
BDB022729
|
BDBM526660
CC(C)c1cnn2c(Nc3cccc(C(=O)NC4CCCN(C(=O)/C=C/CN(C)C)C4)c3)nc(OC3CCN(C)CC3)nc12
|
C32H45N9O3 603.772000 |
RAVLDMFNKTVLSG-XYOKQWHBSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM526660; PubChem:CID122517876
|
Local ready
Direct docking supported
|
|
E3L022730
BDB022730
|
BDBM526661
CC(C)c1cnn2c(Nc3cccc(C(=O)NC4CCN(C(=O)/C=C/CN(C)C)CC4)c3)nc(OC3CCN(C)CC3)nc12
|
C32H45N9O3 603.772000 |
NZNJJDBKESALQA-JXMROGBWSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM526661; PubChem:CID122517756
|
Local ready
Direct docking supported
|
|
E3L022731
BDB022731
|
BDBM526662
CC(C)c1cnn2c(NCc3cccc(NC(=O)[C@H]4CC[C@@H](NC/C=C/C(=O)N(C)C)CC4)c3)nc(OC3CCN(C)CC3)nc12
|
C34H49N9O3 631.826000 |
VDLQREYGEVBDMV-NIOBQARGSA-N | P51948 | Cyclin-H |
BindingDB
BindingDB:BDBM526662
|
Local ready
Direct docking supported
|
|
E3L022732
BDB022732
|
BDBM526663
C=CC(=O)N1CCC(C(=O)Nc2cccc(CNc3nc(OC)nc4c(C(C)C)cnn34)c2)CC1
|
C25H31N7O3 477.569000 |
ZSEPOSLDBYTTOP-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM526663; PubChem:CID122517783
|
Local ready
Direct docking supported
|
|
E3L022733
BDB022733
|
BDBM526664
CC(C)c1cnn2c(NCc3ccccc3N3CCN(C(=O)/C=C/CN(C)C)CC3)nc(NC3CCOCC3)nc12
|
C30H43N9O2 561.735000 |
OGKOQPPQOGSRML-JXMROGBWSA-N | P51948 | Cyclin-H |
BindingDB
BindingDB:BDBM526664
|
Local ready
Direct docking supported
|
|
E3L022734
BDB022734
|
BDBM526665
CC(C)c1cnn2c(NCC3CCN(C(=O)/C=C/CN4CCCC4)CC3)nc(NC3CCOCC3)nc12
|
C27H42N8O2 510.687000 |
DSFZZUGNNOOUNN-AATRIKPKSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM526665; PubChem:CID122517770
|
Local ready
Direct docking supported
|
|
E3L022735
BDB022735
|
BDBM526666
C=CC(=O)N1CCC1C(=O)Nc1cccc(CNc2cc(NC3CCOCC3)nc3c(C(C)C)cnn23)c1
|
C28H35N7O3 517.634000 |
OPJYPQHGSWFBRW-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM526666; PubChem:CID122517863
|
Local ready
Direct docking supported
|
|
E3L022736
BDB022736
|
US11180484, Reference Example H
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)cccc1-n1cnnn1
|
C27H25FN8O3 528.548000 |
RFDDQESTEHOGAA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528074; PubChem:CID121365143
|
Local ready
Direct docking supported
|
|
E3L022737
BDB022737
|
US11180484, Reference Example I
COCc1nn(Cc2ccc(Cn3cccn3)cc2)cc1C(=O)NCc1cccc(Cl)c1
|
C24H24ClN5O2 449.942000 |
UVWDUNJLDUOHNO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528075; PubChem:CID132203063
|
Local ready
Direct docking supported
|
|
E3L022738
BDB022738
|
US11180484, Example 14 from WO 013/111108
COc1ccc(Cl)c(CNC(=O)c2cn(Cc3ccc4nc(C)ccc4c3)nn2)c1F
|
C22H19ClFN5O2 439.878000 |
DFJBJVOVYHHCOV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528077; PubChem:CID71679117
|
Local ready
Direct docking supported
|
|
E3L022739
BDB022739
|
US11180484, Reference Example J
COCc1nn(Cc2ccc(Cn3cccn3)cc2)cc1C(=O)NCc1cccc(Cl)c1F
|
C24H23ClFN5O2 467.932000 |
DYIVTSZIHRLXBK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528078; PubChem:CID132203069
|
Local ready
Direct docking supported
|
|
E3L022740
BDB022740
|
US11180484, Example 1
COCc1nn(Cc2ccc(Cn3cc(C)cn3)cc2)cc1C(=O)NCc1nccc(OC)c1F
|
C25H27FN6O3 478.528000 |
AYLKBOMDSJTOGZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528081; PubChem:CID139301824
|
Local ready
Direct docking supported
|