| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000681
BDB000681
|
BDBM23544
O=C(Nc1ccccc1)c1cc2cc(CCl)ccc2oc1=O
|
C17H12ClNO3 313.740000 |
RUYAFFMOCORBIV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM23544; PubChem:CID402501
|
Local ready
Direct docking supported
|
|
E3L000682
BDB000682
|
6-nitro-2-oxo-N-phenyl-2H-chromene-3-carboxamide
O=C(Nc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O
|
C16H10N2O5 310.265000 |
NDMMIVPXGAPYKM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM23545; PubChem:CID739350
|
Local ready
Direct docking supported
|
|
E3L000683
BDB000683
|
6-bromo-2-oxo-N-phenyl-2H-chromene-3-carboxamide
O=C(Nc1ccccc1)c1cc2cc(Br)ccc2oc1=O
|
C16H10BrNO3 344.164000 |
PNVSYOXGZZSDQM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM23546; PubChem:CID747661
|
Local ready
Direct docking supported
|
|
E3L000684
BDB000684
|
6,8-dichloro-2-oxo-N-phenyl-2H-chromene-3-carboxamide
O=C(Nc1ccccc1)c1cc2cc(Cl)cc(Cl)c2oc1=O
|
C16H9Cl2NO3 334.158000 |
RCCAMTUJQYPMED-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM23547; PubChem:CID741761
|
Local ready
Direct docking supported
|
|
E3L000685
BDB000685
|
BDBM23548
O=C(Nc1ccccc1)c1cc2cc(Cl)cc(Br)c2oc1=O
|
C16H9BrClNO3 378.609000 |
IUBMSLQOIUSAFA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM23548; PubChem:CID24860440
|
Local ready
Direct docking supported
|
|
E3L000686
BDB000686
|
BDBM23549
COc1cc(Br)cc2cc(C(=O)Nc3ccccc3)c(=O)oc12
|
C17H12BrNO4 374.190000 |
LIBPMSGKTCOWCM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM23549; PubChem:CID24860441
|
Local ready
Direct docking supported
|
|
E3L000687
BDB000687
|
BDBM23555
Cc1ccc2oc(=O)c(C(=O)Nc3ccccc3Cl)cc2c1
|
C17H12ClNO3 313.740000 |
FPUSGBFAZGKFJK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM23555; PubChem:CID24860442
|
Local ready
Direct docking supported
|
|
E3L000688
BDB000688
|
BDBM23556
Cc1ccc2oc(=O)c(C(=O)Nc3cccc(Cl)c3)cc2c1
|
C17H12ClNO3 313.740000 |
OOLBPPCJUQNAAW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM23556; PubChem:CID24860443
|
Local ready
Direct docking supported
|
|
E3L000689
BDB000689
|
BDBM23557
Cc1ccc2oc(=O)c(C(=O)Nc3ccc(Cl)cc3)cc2c1
|
C17H12ClNO3 313.740000 |
KLSTVAQJRQHMEW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM23557; PubChem:CID24860444
|
Local ready
Direct docking supported
|
|
E3L000690
BDB000690
|
BDBM23558
Cc1ccc2oc(=O)c(C(=O)Nc3ccccc3C)cc2c1
|
C18H15NO3 293.322000 |
FCSXWWMASMRVEL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM23558; PubChem:CID24860445
|
Local ready
Direct docking supported
|
|
E3L000691
BDB000691
|
BDBM23559
Cc1cccc(NC(=O)c2cc3cc(C)ccc3oc2=O)c1
|
C18H15NO3 293.322000 |
BYMDGQZMHMAQIC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM23559; PubChem:CID24860446
|
Local ready
Direct docking supported
|
|
E3L000692
BDB000692
|
BDBM23560
Cc1ccc(NC(=O)c2cc3cc(C)ccc3oc2=O)cc1
|
C18H15NO3 293.322000 |
MFUWDBLYKLNULI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM23560; PubChem:CID24860447
|
Local ready
Direct docking supported
|
|
E3L000693
BDB000693
|
phenyl 6-(chloromethyl)-2-oxo-2H-chromene-3-carboxylate
O=C(Oc1ccccc1)c1cc2cc(CCl)ccc2oc1=O
|
C17H11ClO4 314.724000 |
VLAVQNSKKDLVGI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM23563; PubChem:CID402499
|
Local ready
Direct docking supported
|
|
E3L000694
BDB000694
|
BDBM23564
Cc1cc(C)cc(NC(=O)c2cc3cc(C)ccc3oc2=O)c1
|
C19H17NO3 307.349000 |
LQLUAXVECOARTB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM23564; PubChem:CID24860448
|
Local ready
Direct docking supported
|
|
E3L000695
BDB000695
|
BDBM23565
Cc1cccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)c1
|
C17H11Cl2NO3 348.185000 |
SONVRVRNPLMRNE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM23565; PubChem:CID3753834
|
Local ready
Direct docking supported
|
|
E3L000696
BDB000696
|
BDBM23566
Cc1cc(C)cc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)c1
|
C18H13Cl2NO3 362.212000 |
OGDFRBNWXDWIQT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM23566; PubChem:CID24860449
|
Local ready
Direct docking supported
|
|
E3L000697
BDB000697
|
BDBM23567
Cc1cccc(NC(=O)c2cc3cc(Cl)cc(Br)c3oc2=O)c1
|
C17H11BrClNO3 392.636000 |
AOZYTCBDNDDZPR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM23567; PubChem:CID24860450
|
Local ready
Direct docking supported
|
|
E3L000698
BDB000698
|
BDBM23568
Cc1cc(C)cc(NC(=O)c2cc3cc(Cl)cc(Br)c3oc2=O)c1
|
C18H13BrClNO3 406.663000 |
NIYAHNDDVVFHBG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM23568; PubChem:CID24860451
|
Local ready
Direct docking supported
|
|
E3L000699
BDB000699
|
BDBM23569
[N]C([N])=N[C][C][C][C@H]([N]C(=O)[C@H]([C]c1ccccc1)[N]C(=O)[C@H]1[C][C][C][N]1)C(=O)[C]Cl
|
C21H8ClN6O3 427.787000 |
KSAWJQXHHNRNMK-BBWFWOEESA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM23569
|
Local ready
Direct docking supported
|
|
E3L000700
BDB000700
|
BDBM23722
Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Cl
|
C12H10Cl2N2O 269.131000 |
NTPKEXXMJVFTKE-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM23722; PubChem:CID685663
|
Local ready
Direct docking supported
|