| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002841
BDB002841
|
BDBM45711
Cc1ccc(C(CC(=O)NCCCN(C)C)c2ccc(OC(C)C)cc2)cc1
|
C24H34N2O2 382.548000 |
BWWXTWGITFHORH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45711; PubChem:CID5150277
|
Local ready
Direct docking supported
|
|
E3L002842
BDB002842
|
BDBM45712
CCOC(=O)/C(C#N)=C/N=c1\ccc(C)cn1C
|
C13H15N3O2 245.282000 |
KHZWEPGFJACMBA-XVNCSPBISA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45712
|
Local ready
Direct docking supported
|
|
E3L002843
BDB002843
|
BDBM45713
COc1ccc(/C=C2\N=C(C)OC2=O)cc1[N+](=O)[O-]
|
C12H10N2O5 262.221000 |
AVHSXBWDROAZHU-UITAMQMPSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45713; PubChem:CID1920706
|
Local ready
Direct docking supported
|
|
E3L002844
BDB002844
|
BDBM45714
CCOC(=O)c1c(O)c2cc(Cl)ccc2n(CC)c1=O
|
C14H14ClNO4 295.722000 |
KSHXYSCRQMFKFW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45714; PubChem:CID54682077
|
Local ready
Direct docking supported
|
|
E3L002845
BDB002845
|
BDBM45715
CC(=NNC(=O)CCn1nnc2ccccc21)c1cccs1
|
C15H15N5OS 313.386000 |
LAEAICIHMHJQSL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45715
|
Local ready
Direct docking supported
|
|
E3L002846
BDB002846
|
BDBM45716
O=C(CSc1nc2ccccc2s1)NC1CCCC1
|
C14H16N2OS2 292.429000 |
OADYLYORLRNWBL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45716; PubChem:CID755801
|
Local ready
Direct docking supported
|
|
E3L002847
BDB002847
|
BDBM45717
CCC1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C(O)(C(F)(F)F)C1
|
C14H14F3N3O4 345.277000 |
MLMYUQKPABAGRO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45717; PubChem:CID2869307
|
Local ready
Direct docking supported
|
|
E3L002848
BDB002848
|
BDBM45718
Cc1n[nH]c(C)c1CCC(=O)NN=Cc1cccs1
|
C13H16N4OS 276.365000 |
VODBTUMWVHMUGD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45718
|
Local ready
Direct docking supported
|
|
E3L002849
BDB002849
|
BDBM45719
CC(Cc1ccccc1)=NNC(=O)CNC(=O)c1ccc(Cl)cc1Cl
|
C18H17Cl2N3O2 378.259000 |
PZIBGEPFMJMDQO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45719
|
Local ready
Direct docking supported
|
|
E3L002850
BDB002850
|
BDBM45720
COC(=O)c1ccc(NCC(=O)Nc2cc(C)cc(C)c2)cc1
|
C18H20N2O3 312.369000 |
VVRCOESFERSGHT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45720; PubChem:CID2339009
|
Local ready
Direct docking supported
|
|
E3L002851
BDB002851
|
BDBM45721
COc1ccc(-n2c(O)cc(Nc3cccc([N+](=O)[O-])c3)c2O)cc1
|
C17H15N3O5 341.323000 |
ZISBHCUPAXOKHI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45721; PubChem:CID91896666
|
Local ready
Direct docking supported
|
|
E3L002852
BDB002852
|
BDBM45722
COCCCn1c(=O)c(=Cc2ccccc2OC(C)C)s/c1=C(/C#N)C(=O)Nc1ccc(C(=O)O)cc1
|
C27H27N3O6S 521.595000 |
VCTMLEXFWZBHAH-GHJJQLCKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45722; PubChem:CID91896667
|
Local ready
Direct docking supported
|
|
E3L002853
BDB002853
|
BDBM45723
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1n[nH]c(=O)c2ccccc12
|
C15H9Cl3N4O2 383.622000 |
IZVSJOKEMOEGPB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45723; PubChem:CID2457524
|
Local ready
Direct docking supported
|
|
E3L002854
BDB002854
|
BDBM45724
O=C(O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1
|
C17H10ClNO4 327.723000 |
NSYKJANZYWVKGS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45724; PubChem:CID470952
|
Local ready
Direct docking supported
|
|
E3L002855
BDB002855
|
BDBM45725
O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)C1=CNc1ccc(C(=O)O)cc1
|
C19H14FN3O5 383.335000 |
WTZGCJGEUGFEHH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45725
|
Local ready
Direct docking supported
|
|
E3L002856
BDB002856
|
BDBM45726
Cc1[nH]c2ccccc2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1
|
C20H22N4O3 366.421000 |
JUCVXJCJKICIPV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45726; PubChem:CID1918397
|
Local ready
Direct docking supported
|
|
E3L002857
BDB002857
|
2-(3-nitro-9H-carbazol-9-yl)ethanol
O=[N+]([O-])c1ccc2c(c1)c1ccccc1n2CCO
|
C14H12N2O3 256.261000 |
FRRVCIIYVGIPQJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45727; PubChem:CID1918739
|
Local ready
Direct docking supported
|
|
E3L002858
BDB002858
|
BDBM45728
O=C(Nc1cc(=O)[nH]c2ncnn12)c1ccco1
|
C10H7N5O3 245.198000 |
DITGEVSMVKPCPJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45728; PubChem:CID135465191
|
Local ready
Direct docking supported
|
|
E3L002859
BDB002859
|
BDBM45729
O=C1CC(N2CCN(Cc3ccc(Cl)cc3)CC2)C(=O)N1CCc1ccccc1
|
C23H26ClN3O2 411.933000 |
LAWQPMDPTDMMJH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45729; PubChem:CID3519428
|
Local ready
Direct docking supported
|
|
E3L002860
BDB002860
|
BDBM45730
Cc1[nH]c(=O)[nH]c(=O)c1C=NNC(=O)[C@@H](N)CC(C)C
|
C12H19N5O3 281.316000 |
RVTVSPNKORDQPQ-VIFPVBQESA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45730; PubChem:CID1569623
|
Local ready
Direct docking supported
|