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Compile Data Set for Download or QSAR

Found 6 hits of ki for monomerid = 50098853   
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))
BDBM50098853
PNG
(2-(2-{2-[5-Amino-2-(3-methoxy-phenyl)-6-oxo-6H-pyr...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(OC)c1
Show InChI InChI=1S/C31H27N5O7/c1-41-21-10-6-9-19(14-21)28-33-16-22(32)30(39)36(28)17-26(37)34-24(13-18-7-4-3-5-8-18)27(38)29-35-23-15-20(31(40)42-2)11-12-25(23)43-29/h3-12,14-16,24H,13,17,32H2,1-2H3,(H,34,37)
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1.12n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against canine skin chymase


J Med Chem 44: 1286-96 (2001)


BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50098853
PNG
(2-(2-{2-[5-Amino-2-(3-methoxy-phenyl)-6-oxo-6H-pyr...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(OC)c1
Show InChI InChI=1S/C31H27N5O7/c1-41-21-10-6-9-19(14-21)28-33-16-22(32)30(39)36(28)17-26(37)34-24(13-18-7-4-3-5-8-18)27(38)29-35-23-15-20(31(40)42-2)11-12-25(23)43-29/h3-12,14-16,24H,13,17,32H2,1-2H3,(H,34,37)
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4.85n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against chymase from human heart.


J Med Chem 44: 1286-96 (2001)


BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Mast cell protease 9


(Mus musculus)
BDBM50098853
PNG
(2-(2-{2-[5-Amino-2-(3-methoxy-phenyl)-6-oxo-6H-pyr...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(OC)c1
Show InChI InChI=1S/C31H27N5O7/c1-41-21-10-6-9-19(14-21)28-33-16-22(32)30(39)36(28)17-26(37)34-24(13-18-7-4-3-5-8-18)27(38)29-35-23-15-20(31(40)42-2)11-12-25(23)43-29/h3-12,14-16,24H,13,17,32H2,1-2H3,(H,34,37)
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63.9n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse peritoneal chymase


J Med Chem 44: 1286-96 (2001)


BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Rattus norvegicus)
BDBM50098853
PNG
(2-(2-{2-[5-Amino-2-(3-methoxy-phenyl)-6-oxo-6H-pyr...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(OC)c1
Show InChI InChI=1S/C31H27N5O7/c1-41-21-10-6-9-19(14-21)28-33-16-22(32)30(39)36(28)17-26(37)34-24(13-18-7-4-3-5-8-18)27(38)29-35-23-15-20(31(40)42-2)11-12-25(23)43-29/h3-12,14-16,24H,13,17,32H2,1-2H3,(H,34,37)
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86.6n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat peritoneal chymase


J Med Chem 44: 1286-96 (2001)


BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50098853
PNG
(2-(2-{2-[5-Amino-2-(3-methoxy-phenyl)-6-oxo-6H-pyr...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(OC)c1
Show InChI InChI=1S/C31H27N5O7/c1-41-21-10-6-9-19(14-21)28-33-16-22(32)30(39)36(28)17-26(37)34-24(13-18-7-4-3-5-8-18)27(38)29-35-23-15-20(31(40)42-2)11-12-25(23)43-29/h3-12,14-16,24H,13,17,32H2,1-2H3,(H,34,37)
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379n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human cathepsin G


J Med Chem 44: 1286-96 (2001)


BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50098853
PNG
(2-(2-{2-[5-Amino-2-(3-methoxy-phenyl)-6-oxo-6H-pyr...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(OC)c1
Show InChI InChI=1S/C31H27N5O7/c1-41-21-10-6-9-19(14-21)28-33-16-22(32)30(39)36(28)17-26(37)34-24(13-18-7-4-3-5-8-18)27(38)29-35-23-15-20(31(40)42-2)11-12-25(23)43-29/h3-12,14-16,24H,13,17,32H2,1-2H3,(H,34,37)
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943n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha chymotrypsin from bovine pancreas.


J Med Chem 44: 1286-96 (2001)


BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair