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6 similar compounds to monomer 50208222

Compile data set for download or QSAR
Wt: 440.2
BDBM50208225
Wt: 455.8
BDBM50208235
Wt: 425.7
BDBM50208239
Wt: 405.8
BDBM50208241
Wt: 441.8
BDBM50208242
Wt: 443.7
BDBM50208243

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50208225,50208235,50208239,50208241,50208242,50208243   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Chymase


(Homo sapiens (Human))
BDBM50208225
PNG
((E)-2-(3-chlorostyrylamino)-1-(5-chlorobenzo[b]thi...)
Show SMILES CP(O)(=O)C(C(=O)NC=Cc1cccc(Cl)c1)c1csc2ccc(Cl)cc12
Show InChI InChI=1S/C19H16Cl2NO3PS/c1-26(24,25)18(16-11-27-17-6-5-14(21)10-15(16)17)19(23)22-8-7-12-3-2-4-13(20)9-12/h2-11,18H,1H3,(H,22,23)(H,24,25)
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Article
PubMed
n/an/a 3.5n/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))
BDBM50208235
PNG
((E)-2-(3,4-difluorostyrylamino)-1-(5-chlorobenzo[b...)
Show SMILES CCP(O)(=O)C(C(=O)NC=Cc1ccc(F)c(F)c1)c1csc2ccc(Cl)cc12
Show InChI InChI=1S/C20H17ClF2NO3PS/c1-2-28(26,27)19(15-11-29-18-6-4-13(21)10-14(15)18)20(25)24-8-7-12-3-5-16(22)17(23)9-12/h3-11,19H,2H2,1H3,(H,24,25)(H,26,27)
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Article
PubMed
n/an/a 165n/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))
BDBM50208243
PNG
((E)-2-(3,4-difluorostyrylamino)-1-(5-chlorobenzo[b...)
Show SMILES OP(O)(=O)C(C(=O)NC=Cc1ccc(F)c(F)c1)c1csc2ccc(Cl)cc12
Show InChI InChI=1S/C18H13ClF2NO4PS/c19-11-2-4-16-12(8-11)13(9-28-16)17(27(24,25)26)18(23)22-6-5-10-1-3-14(20)15(21)7-10/h1-9,17H,(H,22,23)(H2,24,25,26)
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Article
PubMed
n/an/a 11n/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))
BDBM50208241
PNG
((E)-1-(5-chlorobenzo[b]thiophen-3-yl)-2-oxo-2-(sty...)
Show SMILES CP(O)(=O)C(C(=O)NC=Cc1ccccc1)c1csc2ccc(Cl)cc12
Show InChI InChI=1S/C19H17ClNO3PS/c1-25(23,24)18(16-12-26-17-8-7-14(20)11-15(16)17)19(22)21-10-9-13-5-3-2-4-6-13/h2-12,18H,1H3,(H,21,22)(H,23,24)
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Article
PubMed
n/an/a 50n/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))
BDBM50208242
PNG
((E)-2-(3,4-difluorostyrylamino)-1-(5-chlorobenzo[b...)
Show SMILES CP(O)(=O)C(C(=O)NC=Cc1ccc(F)c(F)c1)c1csc2ccc(Cl)cc12
Show InChI InChI=1S/C19H15ClF2NO3PS/c1-27(25,26)18(14-10-28-17-5-3-12(20)9-13(14)17)19(24)23-7-6-11-2-4-15(21)16(22)8-11/h2-10,18H,1H3,(H,23,24)(H,25,26)
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Article
PubMed
n/an/a 58n/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
3D
3D Structure (crystal)
Chymase


(Homo sapiens (Human))
BDBM50208239
PNG
((E)-2-(4-fluorostyrylamino)-1-(5-chlorobenzo[b]thi...)
Show SMILES OP(O)(=O)C(C(=O)NC=Cc1ccc(F)cc1)c1csc2ccc(Cl)cc12
Show InChI InChI=1S/C18H14ClFNO4PS/c19-12-3-6-16-14(9-12)15(10-27-16)17(26(23,24)25)18(22)21-8-7-11-1-4-13(20)5-2-11/h1-10,17H,(H,21,22)(H2,23,24,25)
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Article
PubMed
n/an/a 66n/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