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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50083971   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prothrombin


(Homo sapiens (Human))
BDBM50083971
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cccc(c1)S(=O)(=O)Oc1cc(C)cc(OCCC=NNC(N)=N)c1 |w:21.22|
Show InChI InChI=1S/C18H22N4O4S/c1-13-5-3-6-17(11-13)27(23,24)26-16-10-14(2)9-15(12-16)25-8-4-7-21-22-18(19)20/h3,5-7,9-12H,4,8H2,1-2H3,(H4,19,20,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
6n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin


Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50083971
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cccc(c1)S(=O)(=O)Oc1cc(C)cc(OCCC=NNC(N)=N)c1 |w:21.22|
Show InChI InChI=1S/C18H22N4O4S/c1-13-5-3-6-17(11-13)27(23,24)26-16-10-14(2)9-15(12-16)25-8-4-7-21-22-18(19)20/h3,5-7,9-12H,4,8H2,1-2H3,(H4,19,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.70E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human trypsin


Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair