| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002441
BDB002441
|
BDBM45310
CC1(C)Oc2ccc(C(=O)NC3CCCC3)cc2N(CC(=O)NC2CCCC2)C1=O
|
C23H31N3O4 413.518000 |
GBPCHJUYHGWGEL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45310; PubChem:CID654409
|
Local ready
Direct docking supported
|
|
E3L002442
BDB002442
|
BDBM45311
Cc1ccc(OCC(=O)Nc2nnn(C)n2)c(C)c1
|
C12H15N5O2 261.285000 |
CPIQOFHCTLKRBI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45311; PubChem:CID654531
|
Local ready
Direct docking supported
|
|
E3L002443
BDB002443
|
BDBM45312
COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)C(C(=O)NC(C)(C)C)c2ccco2)cc1
|
C23H27N5O5S 485.566000 |
YFICKPRRHYSSLF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45312; PubChem:CID655189
|
Local ready
Direct docking supported
|
|
E3L002444
BDB002444
|
BDBM45313
COc1cc(COCC(O)CN2CCOCC2)cc(OC)c1OC
|
C17H27NO6 341.404000 |
DHHNIMNDKODRPF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45313; PubChem:CID655840
|
Local ready
Direct docking supported
|
|
E3L002445
BDB002445
|
6-(Furan-2-yl)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4-one
O=c1oc(-c2ccco2)nc2c1cnn2-c1ccccc1
|
C15H9N3O3 279.255000 |
ITKDRIBPGQEEOY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45314; PubChem:CID656157
|
Local ready
Direct docking supported
|
|
E3L002446
BDB002446
|
BDBM45315
Oc1cn(Cc2ccccc2)/c(=N/Cc2ccco2)s1
|
C15H14N2O2S 286.356000 |
GXPABGGSZXVZNO-NXVVXOECSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45315
|
Local ready
Direct docking supported
|
|
E3L002447
BDB002447
|
BDBM45316
CC(=O)Oc1oc(-c2ccccc2)nc1C=Nc1ccccn1
|
C17H13N3O3 307.309000 |
CLQYYXUSAQGRMT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45316
|
Local ready
Direct docking supported
|
|
E3L002448
BDB002448
|
BDBM45317
COC(=O)C(NC(=O)c1ccco1)(Nc1nc(C)cs1)C(F)(F)F
|
C13H12F3N3O4S 363.317000 |
IGCFWHRVLUAMOM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45317; PubChem:CID660460
|
Local ready
Direct docking supported
|
|
E3L002449
BDB002449
|
N-(3-bromophenyl)-3-pyrrolidin-1-ylpropanamide
O=C(CCN1CCCC1)Nc1cccc(Br)c1
|
C13H17BrN2O 297.196000 |
WCPHOHCVISFQHF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45318; PubChem:CID660492
|
Local ready
Direct docking supported
|
|
E3L002450
BDB002450
|
BDBM45319
Cn1nccc1C(=O)Nc1ccccc1C(=O)O
|
C12H11N3O3 245.238000 |
QCSHYNRFKADQFN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45319; PubChem:CID572920
|
Local ready
Direct docking supported
|
|
E3L002451
BDB002451
|
BDBM45320
COc1ccc(C2C(C(C)=O)C(=O)C(=O)N2c2nccs2)cc1OC
|
C17H16N2O5S 360.391000 |
AOBWYIJNNZTAQF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45320; PubChem:CID91896647
|
Local ready
Direct docking supported
|
|
E3L002452
BDB002452
|
BDBM45321
C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cccs1
|
C16H16N2O3S2 348.449000 |
BHVBNDGKICISCK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45321; PubChem:CID660932
|
Local ready
Direct docking supported
|
|
E3L002453
BDB002453
|
BDBM45322
C=CCSc1nc(C)c(CC=C)c(=O)[nH]1
|
C11H14N2OS 222.313000 |
QKOBFNINEWREKY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45322; PubChem:CID135418926
|
Local ready
Direct docking supported
|
|
E3L002454
BDB002454
|
BDBM45323
Cc1c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)C2c2cccs2)cnn1-c1ccccc1
|
C25H26N4O4S 478.574000 |
VCMWLRUOJIZVSS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45323; PubChem:CID91896648
|
Local ready
Direct docking supported
|
|
E3L002455
BDB002455
|
BDBM45324
Cn1c(=O)c2c(nc(Br)n2CCSc2ncccn2)n(C)c1=O
|
C13H13BrN6O2S 397.258000 |
FMCLRLBGHRLAME-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45324; PubChem:CID661328
|
Local ready
Direct docking supported
|
|
E3L002456
BDB002456
|
BDBM45325
COc1ccc(-n2ncc3c(NCc4ccccn4)ncnc32)cc1
|
C18H16N6O 332.367000 |
XOMMIHLZMNIJFR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45325; PubChem:CID661366
|
Local ready
Direct docking supported
|
|
E3L002457
BDB002457
|
BDBM45326
Cc1ccc(C2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)o1
|
C23H26N2O6 426.469000 |
KDVGUGOHNSSZFX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45326; PubChem:CID91896649
|
Local ready
Direct docking supported
|
|
E3L002458
BDB002458
|
BDBM45327
COc1cccc(OC)c1-c1nn2c(-c3ccco3)nnc2s1
|
C15H12N4O3S 328.353000 |
OLUIRVYQWANIRQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45327; PubChem:CID662811
|
Local ready
Direct docking supported
|
|
E3L002459
BDB002459
|
BDBM45328
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)C2c2cccc(OC)c2OC)c1C
|
C25H31N3O7 485.537000 |
ILENMLMCJPDQJM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45328; PubChem:CID91896650
|
Local ready
Direct docking supported
|
|
E3L002460
BDB002460
|
BDBM45329
COc1ccc(C=Nn2c(=O)[nH]c3c([nH]c4ccc(C)cc43)c2=O)cc1CN1CCOCC1
|
C24H25N5O4 447.495000 |
SDGOPSQAYWFNJR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45329
|
Local ready
Direct docking supported
|