| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002561
BDB002561
|
BDBM45430
COc1ccccc1NC(=O)CSc1nnnn1C
|
C11H13N5O2S 279.325000 |
MUCFJCBCZAMXJL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45430; PubChem:CID2292924
|
Local ready
Direct docking supported
|
|
E3L002562
BDB002562
|
BDBM45431
COc1ccccc1N(CC(O)CN1C(=O)NC(C)(C)C1=O)S(=O)(=O)c1ccc(C)cc1
|
C22H27N3O6S 461.540000 |
GBSRSSHSJWMPNZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45431; PubChem:CID2884589
|
Local ready
Direct docking supported
|
|
E3L002563
BDB002563
|
1,3-Dimethyl-6-(2-phenylethylamino)pyrimidine-2,4-dione
Cn1c(NCCc2ccccc2)cc(=O)n(C)c1=O
|
C14H17N3O2 259.309000 |
XUGVMBMQHABPQC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45432; PubChem:CID777231
|
Local ready
Direct docking supported
|
|
E3L002564
BDB002564
|
BDBM45433
CC(C)=CCCC(C)=CCCC(C)N=O
|
C13H23NO 209.333000 |
XHWQOAFLRYMXEK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45433
|
Local ready
Direct docking supported
|
|
E3L002565
BDB002565
|
BDBM45434
CCC(=O)OCCn1c(=O)c2cc3c(=O)n(CCOC(=O)CC)c(=O)c3cc2c1=O
|
C20H20N2O8 416.386000 |
AATHMCGKYVGPJC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45434; PubChem:CID1368289
|
Local ready
Direct docking supported
|
|
E3L002566
BDB002566
|
BDBM45435
COc1cc(C=Nn2cnnc2)ccc1OC(=O)c1cccnc1
|
C16H13N5O3 323.312000 |
IQWJOVUIMLVYFJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45435
|
Local ready
Direct docking supported
|
|
E3L002567
BDB002567
|
BDBM45436
CCC(C)NC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1
|
C21H27N3O5S2 465.597000 |
QCOZNACVOHCDTQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45436; PubChem:CID2864284
|
Local ready
Direct docking supported
|
|
E3L002568
BDB002568
|
BDBM45437
COC(=O)C(C)NC(=O)C1CCCN1S(=O)(=O)c1cc(C)c(Cl)cc1C
|
C17H23ClN2O5S 402.900000 |
RARDHEXCDGEDBD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45437; PubChem:CID2930409
|
Local ready
Direct docking supported
|
|
E3L002569
BDB002569
|
N-(furan-2-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
c1cncc(-c2csc(NCc3ccco3)n2)c1
|
C13H11N3OS 257.318000 |
WQJUONMNXJIMEB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45438; PubChem:CID883342
|
Local ready
Direct docking supported
|
|
E3L002570
BDB002570
|
5-bromo-N-(pyridin-4-ylmethyl)furan-2-carboxamide
O=C(NCc1ccncc1)c1ccc(Br)o1
|
C11H9BrN2O2 281.109000 |
JYLYOHZPIJWQHF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45439; PubChem:CID871917
|
Local ready
Direct docking supported
|
|
E3L002571
BDB002571
|
Pentamidine
N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1
|
C19H24N4O2 340.427000 |
XDRYMKDFEDOLFX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45440; PubChem:CID4735
|
Local ready
Direct docking supported
|
|
E3L002572
BDB002572
|
BDBM45441
Cc1onc(-c2ccccc2)c1C(=O)n1cc(Br)cn1
|
C14H10BrN3O2 332.157000 |
KAQYAAQPJAQBKJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45441; PubChem:CID753182
|
Local ready
Direct docking supported
|
|
E3L002573
BDB002573
|
BDBM45442
O=C(c1ccc(COc2ccc(F)cc2)o1)n1cc(Br)cn1
|
C15H10BrFN2O3 365.158000 |
LMDCNZJFAGLUFN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45442; PubChem:CID1222676
|
Local ready
Direct docking supported
|
|
E3L002574
BDB002574
|
BDBM45443
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OC
|
C19H21ClN2O5S 424.906000 |
YXAZCJDDQGNVBG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45443; PubChem:CID1147919
|
Local ready
Direct docking supported
|
|
E3L002575
BDB002575
|
BDBM45444
Cc1ccc(OCc2nnc(SCC(=O)O)n2N)cc1
|
C12H14N4O3S 294.336000 |
DWWJNZHWAJPIPQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45444; PubChem:CID977259
|
Local ready
Direct docking supported
|
|
E3L002576
BDB002576
|
BDBM45445
O=S(=O)(N1CCCCC1)N1CCN(c2ccccc2F)CC1
|
C15H22FN3O2S 327.425000 |
FIIYLFHECMDSOM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45445; PubChem:CID1094970
|
Local ready
Direct docking supported
|
|
E3L002577
BDB002577
|
BDBM45446
O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc2c(c1)OCO2
|
C25H23N3O4 429.476000 |
WGUAEYUFQLMYKF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45446; PubChem:CID1055931
|
Local ready
Direct docking supported
|
|
E3L002578
BDB002578
|
BDBM45447
Cc1cc(-n2ccnc2)n2c(nc3ccccc32)c1C#N
|
C16H11N5 273.299000 |
GUEJHFQPWUESTQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45447; PubChem:CID726769
|
Local ready
Direct docking supported
|
|
E3L002579
BDB002579
|
Furan-2-carboxylic acid 4-acetylamino-phenyl ester
CC(=O)Nc1ccc(OC(=O)c2ccco2)cc1
|
C13H11NO4 245.234000 |
SBMBBHZGRABPOQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45448; PubChem:CID812967
|
Local ready
Direct docking supported
|
|
E3L002580
BDB002580
|
(Z)-3-anilino-2-nitro-acrylic acid methyl ester
COC(=O)C(C=Nc1ccccc1)[N+](=O)[O-]
|
C10H10N2O4 222.200000 |
QAFCJZMHKDYDFV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45449; PubChem:CID91896660
|
Local ready
Direct docking supported
|