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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Chymase' and Ligand = 'BDBM50208222'   
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))
BDBM50208222
PNG
((E)-2-(3-chloro-5-fluorostyrylamino)-1-(5-chlorobe...)
Show SMILES CP(O)(=O)C(C(=O)NC=Cc1cc(F)cc(Cl)c1)c1csc2ccc(Cl)cc12 |w:9.9|
Show InChI InChI=1S/C19H15Cl2FNO3PS/c1-27(25,26)18(16-10-28-17-3-2-12(20)9-15(16)17)19(24)23-5-4-11-6-13(21)8-14(22)7-11/h2-10,18H,1H3,(H,23,24)(H,25,26)
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PC cid
PC sid
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Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208222
PNG
((E)-2-(3-chloro-5-fluorostyrylamino)-1-(5-chlorobe...)
Show SMILES CP(O)(=O)C(C(=O)NC=Cc1cc(F)cc(Cl)c1)c1csc2ccc(Cl)cc12 |w:9.9|
Show InChI InChI=1S/C19H15Cl2FNO3PS/c1-27(25,26)18(16-10-28-17-3-2-12(20)9-15(16)17)19(24)23-5-4-11-6-13(21)8-14(22)7-11/h2-10,18H,1H3,(H,23,24)(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair