| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002481
BDB002481
|
BDBM45350
CN(C)c1cccc(C(=O)n2cc(C(=O)c3cc(F)ccc3O)cn2)c1
|
C19H16FN3O3 353.353000 |
TVYLKCWJJZHCMH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45350; PubChem:CID2999309
|
Local ready
Direct docking supported
|
|
E3L002482
BDB002482
|
BDBM45351
Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2n1
|
C21H21N3O2 347.418000 |
VHRCVIXDXQGTSE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45351; PubChem:CID2083491
|
Local ready
Direct docking supported
|
|
E3L002483
BDB002483
|
BDBM45352
CCOc1cc(C=Nn2cnnc2)cc(Br)c1O
|
C11H11BrN4O2 311.139000 |
JXFDBLZYQDOQSY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45352; PubChem:CID551034
|
Local ready
Direct docking supported
|
|
E3L002484
BDB002484
|
BDBM45353
CCOC(=O)c1ccc2c(c1)nc(C1CCN(S(=O)(=O)c3cccs3)CC1)n2CC
|
C21H25N3O4S2 447.582000 |
BENFIQSABZDVAW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45353; PubChem:CID2999624
|
Local ready
Direct docking supported
|
|
E3L002485
BDB002485
|
BDBM45354
Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F
|
C20H15F2N3O2S 399.422000 |
IMXRKKCDWWHDRP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45354; PubChem:CID2371696
|
Local ready
Direct docking supported
|
|
E3L002486
BDB002486
|
BDBM45355
Cc1ccc(-n2c(O)c(N(CC(=O)O)c3cccc(C)c3)sc2=O)cc1
|
C19H18N2O4S 370.430000 |
HHSREMDPWSPSAK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45355; PubChem:CID91896654
|
Local ready
Direct docking supported
|
|
E3L002487
BDB002487
|
BDBM45356
CC(C(=O)Oc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O
|
C18H13NO6 339.303000 |
YXZGFOVPQXTMMF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45356; PubChem:CID2999838
|
Local ready
Direct docking supported
|
|
E3L002488
BDB002488
|
BDBM45357
Cc1cccc(NC(=O)CSCc2c(C)noc2C)c1C
|
C16H20N2O2S 304.415000 |
PKULWLFWWCBXBH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45357; PubChem:CID2119828
|
Local ready
Direct docking supported
|
|
E3L002489
BDB002489
|
BDBM45358
COCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1
|
C17H22N2O5S 366.439000 |
ORMXZERYCGCFMJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45358; PubChem:CID3235782
|
Local ready
Direct docking supported
|
|
E3L002490
BDB002490
|
BDBM45359
CCOC(=O)CNC(=O)Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O
|
C16H15ClN6O4 390.787000 |
FBOCQEUIXUUCPV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45359; PubChem:CID3235926
|
Local ready
Direct docking supported
|
|
E3L002491
BDB002491
|
BDBM45360
CC(=O)Nc1nonc1NC(=O)CSc1ccccn1
|
C11H11N5O3S 293.308000 |
UAHGNNSDJVUDCF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45360; PubChem:CID715902
|
Local ready
Direct docking supported
|
|
E3L002492
BDB002492
|
BDBM45361
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCCC(O)C1
|
C13H14ClF3N2O2 322.714000 |
MWTQDQHODUHRRP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45361; PubChem:CID3236653
|
Local ready
Direct docking supported
|
|
E3L002493
BDB002493
|
BDBM45362
COc1cccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(C)cc3)n2)c1OC
|
C19H19N3O6S 417.443000 |
GZUGWGQRRGTKKN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45362; PubChem:CID3236830
|
Local ready
Direct docking supported
|
|
E3L002494
BDB002494
|
9-Methyl-3,4-dihydrothiopyrano[3,4-b]indol-1-one
Cn1c2c(c3ccccc31)CCSC2=O
|
C12H11NOS 217.293000 |
AMLWUSQZXSHQPF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45363; PubChem:CID713963
|
Local ready
Direct docking supported
|
|
E3L002495
BDB002495
|
BDBM45364
O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(Oc2ccccc2)cc1
|
C23H24N4O2 388.471000 |
IREYBTTUTCTPMN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45364; PubChem:CID3237037
|
Local ready
Direct docking supported
|
|
E3L002496
BDB002496
|
BDBM45365
O=C(NCc1ccco1)c1scc2c1OCCO2
|
C12H11NO4S 265.290000 |
XTGHQSJQIXXGHP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45365; PubChem:CID709392
|
Local ready
Direct docking supported
|
|
E3L002497
BDB002497
|
(3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one
CN(C)/C=C1\C=C(c2ccccc2)OC1=O
|
C13H13NO2 215.252000 |
FUUCTFSVJSWKLR-PKNBQFBNSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45366; PubChem:CID762462
|
Local ready
Direct docking supported
|
|
E3L002498
BDB002498
|
BDBM45367
Cc1c(C(=O)N2CCOCC2)sc2ncnc(N3CCc4ccccc4C3)c12
|
C21H22N4O2S 394.500000 |
GOUBLFZHIISGOY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45367; PubChem:CID3238305
|
Local ready
Direct docking supported
|
|
E3L002499
BDB002499
|
BDBM45368
Cc1ccc(-n2ncc3c(=O)[nH]cnc32)c(C)c1
|
C13H12N4O 240.266000 |
AIQYAGCWQZIFBM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45368; PubChem:CID135500641
|
Local ready
Direct docking supported
|
|
E3L002500
BDB002500
|
BDBM45369
CCN1C(=O)c2[nH]nc(C(=O)OC)c2C1=O
|
C9H9N3O4 223.188000 |
GJOOSGQNSPTMAX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45369; PubChem:CID3239660
|
Local ready
Direct docking supported
|