| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001681
BDB001681
|
BDBM32921
COCCNCC(=O)Nc1nc(C)cs1
|
C9H15N3O2S 229.305000 |
ARJMDCCNPUTRSU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32921; PubChem:CID3229599
|
Local ready
Direct docking supported
|
|
E3L001682
BDB001682
|
[(3-bromobenzylidene)amino]-(2H-tetrazol-5-yl)amine
Brc1cccc(CN=Nc2nnn[nH]2)c1
|
C8H7BrN6 267.090000 |
CZUCEPOYFZUVCI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32923; PubChem:CID136663858
|
Local ready
Direct docking supported
|
|
E3L001683
BDB001683
|
3-Amino-2-cyclohexylquinazolin-4(3H)-one
Nn1c(C2CCCCC2)nc2ccccc2c1=O
|
C14H17N3O 243.310000 |
UTXWCFSTRZXNQG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32929; PubChem:CID1095833
|
Local ready
Direct docking supported
|
|
E3L001684
BDB001684
|
BDBM32930
CC(=O)Nc1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1
|
C15H11ClN4O3 330.731000 |
QGFAAZRVTUPHHG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32930; PubChem:CID135416829
|
Local ready
Direct docking supported
|
|
E3L001685
BDB001685
|
BDBM32934
O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccco1
|
C13H8N2O4S 288.284000 |
GLLWHIMOHBWLKF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32934; PubChem:CID7202802
|
Local ready
Direct docking supported
|
|
E3L001686
BDB001686
|
BDBM32941
O=C(NNC1=NCCCCC1)Nc1cccc(Cl)c1
|
C13H17ClN4O 280.759000 |
GQHCNTADKUIZFN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32941; PubChem:CID2323773
|
Local ready
Direct docking supported
|
|
E3L001687
BDB001687
|
BDBM32945
Cc1ccc(C(=O)n2ncn(C)c2=S)cc1
|
C11H11N3OS 233.296000 |
GHJUQPDHYJIXSP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32945; PubChem:CID2376254
|
Local ready
Direct docking supported
|
|
E3L001688
BDB001688
|
1-Benzyl-3-cyclohexyl-1-propan-2-ylthiourea
CC(C)N(Cc1ccccc1)C(=S)NC1CCCCC1
|
C17H26N2S 290.476000 |
VGUZGFGEFYFGFT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32959; PubChem:CID714760
|
Local ready
Direct docking supported
|
|
E3L001689
BDB001689
|
BDBM32963
O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1
|
C22H24N4O5S 456.524000 |
XCXPNLPYOJCKNH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32963; PubChem:CID4836011
|
Local ready
Direct docking supported
|
|
E3L001690
BDB001690
|
BDBM32966
CN(C)c1ccc(C(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1
|
C19H22N4O2S 370.478000 |
YKCOHQFOGKUPKW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32966; PubChem:CID3962495
|
Local ready
Direct docking supported
|
|
E3L001691
BDB001691
|
BDBM32968
O=C(O)c1ccc(N=C(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1
|
C20H15ClN2O4S 414.870000 |
IOUOGVAXDBFUIR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM32968
|
Local ready
Direct docking supported
|
|
E3L001692
BDB001692
|
BDBM32969
CCOc1ccc(N=C(N)Nc2nc(CSc3nnc(C)s3)cc(=O)[nH]2)cc1
|
C17H19N7O2S2 417.520000 |
UAXHXLMDNJWYMK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32969; PubChem:CID135521191
|
Local ready
Direct docking supported
|
|
E3L001693
BDB001693
|
BDBM32971
O=C(O)c1ccc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)cc1
|
C17H12N2O3S2 356.428000 |
LTGJJOLOFIAMQW-UVTDQMKNSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32971; PubChem:CID1903391
|
Local ready
Direct docking supported
|
|
E3L001694
BDB001694
|
BDBM32975
O=S(=O)([N-]c1nc2ccccc2nc1-n1cc[n+](Cc2ccccc2)c1)c1ccc(Cl)cc1
|
C24H18ClN5O2S 475.961000 |
VHOQRDOZGRCZBD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32975; PubChem:CID1390207
|
Local ready
Direct docking supported
|
|
E3L001695
BDB001695
|
BDBM32977
CCOc1ccc(-c2c(C)n(-c3ccc(OCC)cc3)c3[n+]2CCCCC3)cc1
|
C25H31N2O2+ 391.535000 |
PZLSVBQHOMDHFI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32977; PubChem:CID1387498
|
Local ready
Direct docking supported
|
|
E3L001696
BDB001696
|
BDBM33000
O=C(NN=Cc1ccccc1[N+](=O)[O-])c1ccc2nc[nH]c2c1
|
C15H11N5O3 309.285000 |
FNCMTJQTPCSTJV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM33000
|
Local ready
Direct docking supported
|
|
E3L001697
BDB001697
|
N-(2-oxothiolan-3-yl)-2,2-diphenylacetamide
O=C1SCCC1NC(=O)C(c1ccccc1)c1ccccc1
|
C18H17NO2S 311.406000 |
OHQVBBHTUGGVNK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33001; PubChem:CID3136355
|
Local ready
Direct docking supported
|
|
E3L001698
BDB001698
|
1,2-Bis(3-amino-4-methylphenyl)ethane-1,2-dione
Cc1ccc(C(=O)C(=O)c2ccc(C)c(N)c2)cc1N
|
C16H16N2O2 268.316000 |
DAEYXUPGJKYJQT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33003; PubChem:CID1868544
|
Local ready
Direct docking supported
|
|
E3L001699
BDB001699
|
BDBM33004
Cc1cc2c(=O)oc(-c3ccccc3Br)nc2s1
|
C13H8BrNO2S 322.183000 |
ANAMDTZYLYXCBT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33004; PubChem:CID3796366
|
Local ready
Direct docking supported
|
|
E3L001700
BDB001700
|
BDBM33006
COc1cccc(NC(C)(C)c2nnnn2-c2c(C)cccc2C)c1
|
C19H23N5O 337.427000 |
QRHWBNDQGIHIGO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33006; PubChem:CID596368
|
Local ready
Direct docking supported
|