| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002521
BDB002521
|
BDBM45390
CC1=NC2=C(C(=O)CC(c3ccc(F)cc3)C2)C(c2ccc(C)o2)C1C(=O)OCC1CCCO1
|
C27H28FNO5 465.521000 |
BFMYSDAILMGSRT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45390; PubChem:CID91896656
|
Local ready
Direct docking supported
|
|
E3L002522
BDB002522
|
4-[(2,3-Dimethoxybenzyl)amino]benzenesulfonamide
COc1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1OC
|
C15H18N2O4S 322.386000 |
JIUWZCSLRWYYBP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45391; PubChem:CID834458
|
Local ready
Direct docking supported
|
|
E3L002523
BDB002523
|
BDBM45392
Cc1ccc(C)c(C(=O)n2cnnc2N)c1
|
C11H12N4O 216.244000 |
YZMUEWQJIGOEBX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45392; PubChem:CID925484
|
Local ready
Direct docking supported
|
|
E3L002524
BDB002524
|
BDBM45393
COC(=O)c1ccc(Oc2nc(NC(C)C)nc(SC)n2)cc1
|
C15H18N4O3S 334.401000 |
FDXQXSCHIZXDIE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45393; PubChem:CID753419
|
Local ready
Direct docking supported
|
|
E3L002525
BDB002525
|
BDBM45394
CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccc(C)o2)C2C(=O)CC(C)(C)CC2=N1
|
C25H28N2O3 404.510000 |
WFJKPVCDYXVPPB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45394; PubChem:CID91896657
|
Local ready
Direct docking supported
|
|
E3L002526
BDB002526
|
BDBM45395
Cc1cc(C)n(C(=O)CNc2cccc(Cl)c2C)n1
|
C14H16ClN3O 277.755000 |
FHLNURIOAVMSFC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45395; PubChem:CID703700
|
Local ready
Direct docking supported
|
|
E3L002527
BDB002527
|
4-[benzyl(methylsulfonyl)amino]-N-methylbenzamide
CNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1
|
C16H18N2O3S 318.398000 |
LLZAZVYLGFNWDN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45396; PubChem:CID875239
|
Local ready
Direct docking supported
|
|
E3L002528
BDB002528
|
BDBM45397
COc1ccc(N(CC(=O)Nc2ccccc2SC)S(C)(=O)=O)cc1OC
|
C18H22N2O5S2 410.517000 |
RYKIBQFGLQKCSB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45397; PubChem:CID2208130
|
Local ready
Direct docking supported
|
|
E3L002529
BDB002529
|
BDBM45398
CN(C)/C=C/c1c(C#N)c(=O)ncn1Cc1ccccc1
|
C16H16N4O 280.331000 |
BMTOXJGOEYQBOF-CMDGGOBGSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45398; PubChem:CID787457
|
Local ready
Direct docking supported
|
|
E3L002530
BDB002530
|
BDBM45399
Cc1ccc2c(C)c(C(=O)Nc3nnc(C)s3)oc2c1
|
C14H13N3O2S 287.344000 |
OBFFXAQNXSRJES-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45399; PubChem:CID2219584
|
Local ready
Direct docking supported
|
|
E3L002531
BDB002531
|
BDBM45400
O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccc2c(c1)OCO2
|
C21H16N2O4 360.369000 |
VIOFFMUTCIKSLZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45400; PubChem:CID1090648
|
Local ready
Direct docking supported
|
|
E3L002532
BDB002532
|
BDBM45401
Cc1nnc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)s1
|
C10H4F5N3OS 309.219000 |
FXHQYTMYNYBDPH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45401; PubChem:CID2164196
|
Local ready
Direct docking supported
|
|
E3L002533
BDB002533
|
BDBM45402
COc1cc(Cl)c(C)cc1NC(=O)CSC
|
C11H14ClNO2S 259.758000 |
VAPBMRQMZKGJIW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45402; PubChem:CID734363
|
Local ready
Direct docking supported
|
|
E3L002534
BDB002534
|
BDBM45403
COC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2c1CCC2
|
C14H12BrNO3S2 386.292000 |
ZDVVDPVIAGPVID-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45403; PubChem:CID1246977
|
Local ready
Direct docking supported
|
|
E3L002535
BDB002535
|
BDBM45404
COc1ccccc1C(=O)n1nc(-c2ccccc2)nc1N
|
C16H14N4O2 294.314000 |
XFOFNRPAKUBICP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45404; PubChem:CID895500
|
Local ready
Direct docking supported
|
|
E3L002536
BDB002536
|
BDBM45405
COc1cc(NC(=O)C2CC=CCC2C(=O)O)c(OC)cc1Cl
|
C16H18ClNO5 339.775000 |
SCRJBRSRHBQGTB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45405; PubChem:CID3246787
|
Local ready
Direct docking supported
|
|
E3L002537
BDB002537
|
1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
COc1ccc(C(=O)n2nc(C)cc2C)cc1OC
|
C14H16N2O3 260.293000 |
HQUSXGZKUOWKDF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45406; PubChem:CID753833
|
Local ready
Direct docking supported
|
|
E3L002538
BDB002538
|
BDBM45407
O=C(C1CC(c2ccc(Cl)c(Cl)c2)=NO1)N1CCC2(CC1)OCCO2
|
C17H18Cl2N2O4 385.247000 |
VCFOJVZSNWAFNN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45407; PubChem:CID2962212
|
Local ready
Direct docking supported
|
|
E3L002539
BDB002539
|
BDBM45408
COc1cc(C)c(S(=O)(=O)NCc2cccs2)cc1C
|
C14H17NO3S2 311.428000 |
YCOUOYHRCJNLTA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45408; PubChem:CID1256404
|
Local ready
Direct docking supported
|
|
E3L002540
BDB002540
|
BDBM45409
COC(=O)CSc1nnc(-c2sc3cc(OC)ccc3c2Cl)n1C
|
C15H14ClN3O3S2 383.882000 |
PFIWHBHLHHZXNR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45409; PubChem:CID1303890
|
Local ready
Direct docking supported
|