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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 397.2
BDBM85663

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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
Chymase


(Homo sapiens (Human))
BDBM85663
PNG
(Tetrahydroisoquinoline hydantoin derivative, 3c)
Show SMILES Oc1c2Cc3ccccc3-n2c(=O)n1S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H10Cl2N2O4S/c17-11-6-5-10(8-12(11)18)25(23,24)20-15(21)14-7-9-3-1-2-4-13(9)19(14)16(20)22/h1-6,8,21H,7H2
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 3.74E+5n/an/an/an/an/an/a



Université de Tours



Assay Description
Enzyme inhibitory activity using recombinant human chymase.


J Enzyme Inhib Med Chem 19: 137-43 (2004)


Article DOI: 10.1080/14756360310001650200
BindingDB Entry DOI: 10.7270/Q2VM49TK
More data for this
Ligand-Target Pair