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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mast cell protease 3' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
Mast cell protease 3


(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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PC sid
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PubMed
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)

More data for this
Ligand-Target Pair
Mast cell protease 3


(Rattus norvegicus)
BDBM50098847
PNG
(2-(2-{2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyri...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C30H24FN5O6/c1-41-30(40)19-9-12-24-22(14-19)35-28(42-24)26(38)23(13-17-5-3-2-4-6-17)34-25(37)16-36-27(33-15-21(32)29(36)39)18-7-10-20(31)11-8-18/h2-12,14-15,23H,13,16,32H2,1H3,(H,34,37)
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PubMed
103n/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)

More data for this
Ligand-Target Pair
Mast cell protease 3


(Rattus norvegicus)
BDBM50098874
PNG
(4-{2-[5-Amino-2-(3-chloro-phenyl)-6-oxo-6H-pyrimid...)
Show SMILES Nc1cnc(-c2cccc(Cl)c2)n(CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C30H26ClF2N5O4/c31-22-13-7-12-21(15-22)27-35-17-23(34)28(41)38(27)18-25(39)37-24(14-19-8-3-1-4-9-19)26(40)30(32,33)29(42)36-16-20-10-5-2-6-11-20/h1-13,15,17,24H,14,16,18,34H2,(H,36,42)(H,37,39)
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PC sid
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PubMed
4.24E+3n/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: 1297-304 (2001)

More data for this
Ligand-Target Pair