| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001661
BDB001661
|
Benzotriazol-1-yl-(1,3-diphenylpyrazol-4-yl)methanone
O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)n1nnc2ccccc21
|
C22H15N5O 365.396000 |
CYQKPQNCLCVFKT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32823; PubChem:CID1409855
|
Local ready
Direct docking supported
|
|
E3L001662
BDB001662
|
BDBM32824
COc1cc(OC)cc(C(=O)n2cnnc2N)c1
|
C11H12N4O3 248.242000 |
ITJOJULATKBZRP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32824; PubChem:CID936917
|
Local ready
Direct docking supported
|
|
E3L001663
BDB001663
|
BDBM32839
CN1C(=O)C(=NOC(=O)c2ccccc2)c2ccccc21
|
C16H12N2O3 280.283000 |
GBWUJDAJZFVEBT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM32839
|
Local ready
Direct docking supported
|
|
E3L001664
BDB001664
|
BDBM32845
COc1ccc(C(=O)Oc2cc(C)nn3cnnc23)cc1
|
C14H12N4O3 284.275000 |
TZNSQCSCCALZRS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32845; PubChem:CID3265032
|
Local ready
Direct docking supported
|
|
E3L001665
BDB001665
|
BDBM32847
CC1(C)CC(=O)C=C(OC(=O)c2ccc(Cl)cc2)C1
|
C15H15ClO3 278.735000 |
KKORKSCDUXGMSV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32847; PubChem:CID2732003
|
Local ready
Direct docking supported
|
|
E3L001666
BDB001666
|
BDBM32848
Cc1ccc(C(=O)OC2=CC(=O)CC(C)(C)C2)cc1
|
C16H18O3 258.317000 |
WULVYUZAMHODCN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32848; PubChem:CID1474654
|
Local ready
Direct docking supported
|
|
E3L001667
BDB001667
|
BDBM32849
Cc1cc(C)c(C)c(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)c1C
|
C18H17NO5S 359.403000 |
QVHBEADFXGHPAA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32849; PubChem:CID2238214
|
Local ready
Direct docking supported
|
|
E3L001668
BDB001668
|
BDBM32852
C/C(=C\c1ccccc1)C(=O)n1nnc2ccccc21
|
C16H13N3O 263.300000 |
HHJAWIYTXXKCQC-VAWYXSNFSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32852; PubChem:CID5737607
|
Local ready
Direct docking supported
|
|
E3L001669
BDB001669
|
BDBM32853
Cc1ccc(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)c(C)c1
|
C16H13NO5S 331.349000 |
CFYUCVMWWSCWHI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32853; PubChem:CID2196572
|
Local ready
Direct docking supported
|
|
E3L001670
BDB001670
|
BDBM32854
Cc1ccc(C)c(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)c1
|
C16H13NO5S 331.349000 |
ZNJYKWXQBAFTQM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32854; PubChem:CID2195947
|
Local ready
Direct docking supported
|
|
E3L001671
BDB001671
|
BDBM32857
O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1ccccc1
|
C14H9NO5S 303.295000 |
BFCNIOLRCHODJL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32857; PubChem:CID278068
|
Local ready
Direct docking supported
|
|
E3L001672
BDB001672
|
BDBM32860
N#C/C(=C\c1ccc(OC(=O)c2ccccn2)cc1)C(N)=O
|
C16H11N3O3 293.282000 |
VPLDARKGWVVURE-FMIVXFBMSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32860; PubChem:CID2312658
|
Local ready
Direct docking supported
|
|
E3L001673
BDB001673
|
(2-Oxochromen-7-yl) thiophene-2-carboxylate
O=C(Oc1ccc2ccc(=O)oc2c1)c1cccs1
|
C14H8O4S 272.281000 |
PSACGRDUMBMCOY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32862; PubChem:CID1121490
|
Local ready
Direct docking supported
|
|
E3L001674
BDB001674
|
BDBM32866
C=CCNC(=S)N[N-][CH+]c1ccc(C)c([N+](=O)[O-])c1
|
C12H14N4O2S 278.337000 |
WCVAWUUACBCEBY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM32866
|
Local ready
Direct docking supported
|
|
E3L001675
BDB001675
|
BDBM32872
NC1=NC(=NNc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21
|
C17H12ClN5S 353.838000 |
OLVORKOOPWSYGY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM32872
|
Local ready
Direct docking supported
|
|
E3L001676
BDB001676
|
BDBM32881
COc1ccccc1C(=O)n1nc(-c2ccco2)nc1SC
|
C15H13N3O3S 315.354000 |
FLJAMCIHLYTQCT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32881; PubChem:CID977140
|
Local ready
Direct docking supported
|
|
E3L001677
BDB001677
|
BDBM32888
COc1ccc(C(=O)NN=Cc2cc3ccccc3[nH]c2=O)cc1
|
C18H15N3O3 321.336000 |
JDYREAOIIJFTHD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32888; PubChem:CID766635
|
Local ready
Direct docking supported
|
|
E3L001678
BDB001678
|
BDBM32894
NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1
|
C16H17N3O5S 363.395000 |
BGCNZNXNQURJDY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32894; PubChem:CID1346615
|
Local ready
Direct docking supported
|
|
E3L001679
BDB001679
|
BDBM32896
CCCCn1nnc(N(C(=O)c2cccs2)C(=O)c2cccs2)n1
|
C15H15N5O2S2 361.452000 |
KGSRYOUTAFUTIJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32896; PubChem:CID1828813
|
Local ready
Direct docking supported
|
|
E3L001680
BDB001680
|
4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate
Cc1cc(=O)oc2cc(OC(=O)c3ccco3)ccc12
|
C15H10O5 270.240000 |
WVAYNWNBGPUATF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32909; PubChem:CID728528
|
Local ready
Direct docking supported
|