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Compile Data Set for Download or QSAR

Found 14 hits of ic50 for UniProtKB: P21845   
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
Tryptase beta-2


(Mus musculus)		BDBM50511189
PNG
(CHEMBL4571556)
Show SMILES CONC(=O)c1cc(ccc1O)C(=O)N1CCC(CC1)c1cccc(CN)c1
Show InChI InChI=1S/C21H25N3O4/c1-28-23-20(26)18-12-17(5-6-19(18)25)21(27)24-9-7-15(8-10-24)16-4-2-3-14(11-16)13-22/h2-6,11-12,15,25H,7-10,13,22H2,1H3,(H,23,26)
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n/an/a 455n/an/an/an/an/an/a



Weill Cornell Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse MCP6 pre-incubated for 3 hrs before N-tert-butoxycarbonyl-Gln-Ala-Arg-AMC substrate addition and measured every 30 secs for 15 mi...

J Med Chem 63: 3004-3027 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01689
BindingDB Entry DOI: 10.7270/Q2N3018J
More data for this
Ligand-Target Pair
Tryptase beta-2


(Mus musculus)		BDBM50511187
PNG
(CHEMBL4542067)
Show SMILES NCc1ccc2OCC3(CCN(CC3)C(=O)c3ccc(Cl)c(c3)-c3cccc(c3)B(O)O)c2c1
Show InChI InChI=1S/C26H26BClN2O4/c28-23-6-5-19(14-21(23)18-2-1-3-20(13-18)27(32)33)25(31)30-10-8-26(9-11-30)16-34-24-7-4-17(15-29)12-22(24)26/h1-7,12-14,32-33H,8-11,15-16,29H2
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n/an/a 599n/an/an/an/an/an/a



Weill Cornell Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse MCP6 pre-incubated for 3 hrs before N-tert-butoxycarbonyl-Gln-Ala-Arg-AMC substrate addition and measured every 30 secs for 15 mi...

J Med Chem 63: 3004-3027 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01689
BindingDB Entry DOI: 10.7270/Q2N3018J
More data for this
Ligand-Target Pair
Tryptase beta-2


(Mus musculus)		BDBM50511190
PNG
(CHEMBL4592202)
Show SMILES NCc1ccc2OCC3(CCN(CC3)C(=O)c3cccc(c3)-c3cccc(c3)B(O)O)c2c1
Show InChI InChI=1S/C26H27BN2O4/c28-16-18-7-8-24-23(13-18)26(17-33-24)9-11-29(12-10-26)25(30)21-5-1-3-19(14-21)20-4-2-6-22(15-20)27(31)32/h1-8,13-15,31-32H,9-12,16-17,28H2
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n/an/a 1.14E+3n/an/an/an/an/an/a



Weill Cornell Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse MCP6 pre-incubated for 3 hrs before N-tert-butoxycarbonyl-Gln-Ala-Arg-AMC substrate addition and measured every 30 secs for 15 mi...

J Med Chem 63: 3004-3027 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01689
BindingDB Entry DOI: 10.7270/Q2N3018J
More data for this
Ligand-Target Pair
Tryptase beta-2


(Mus musculus)		BDBM50511191
PNG
(CHEMBL4467543)
Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1cccc(c1)-c1cccc(c1)B(O)O
Show InChI InChI=1S/C25H27BN2O3/c27-17-18-4-1-5-20(14-18)19-10-12-28(13-11-19)25(29)23-8-2-6-21(15-23)22-7-3-9-24(16-22)26(30)31/h1-9,14-16,19,30-31H,10-13,17,27H2
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n/an/a 1.42E+3n/an/an/an/an/an/a



Weill Cornell Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse MCP6 pre-incubated for 3 hrs before N-tert-butoxycarbonyl-Gln-Ala-Arg-AMC substrate addition and measured every 30 secs for 15 mi...

J Med Chem 63: 3004-3027 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01689
BindingDB Entry DOI: 10.7270/Q2N3018J
More data for this
Ligand-Target Pair
Tryptase beta-2


(Mus musculus)		BDBM50511179
PNG
(CHEMBL4453049)
Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1ccc(CO)c(O)c1
Show InChI InChI=1S/C20H24N2O3/c21-12-14-2-1-3-16(10-14)15-6-8-22(9-7-15)20(25)17-4-5-18(13-23)19(24)11-17/h1-5,10-11,15,23-24H,6-9,12-13,21H2
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n/an/a 1.55E+3n/an/an/an/an/an/a



Weill Cornell Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse MCP6 pre-incubated for 3 hrs before N-tert-butoxycarbonyl-Gln-Ala-Arg-AMC substrate addition and measured every 30 secs for 15 mi...

J Med Chem 63: 3004-3027 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01689
BindingDB Entry DOI: 10.7270/Q2N3018J
More data for this
Ligand-Target Pair
Tryptase beta-2


(Mus musculus)		BDBM50511186
PNG
(CHEMBL4553079)
Show SMILES CONC(=O)c1cc(ccc1O)C(=O)N1CCC2(COc3ccc(CN)cc23)CC1
Show InChI InChI=1S/C22H25N3O5/c1-29-24-20(27)16-11-15(3-4-18(16)26)21(28)25-8-6-22(7-9-25)13-30-19-5-2-14(12-23)10-17(19)22/h2-5,10-11,26H,6-9,12-13,23H2,1H3,(H,24,27)
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n/an/a 2.16E+3n/an/an/an/an/an/a



Weill Cornell Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse MCP6 pre-incubated for 3 hrs before N-tert-butoxycarbonyl-Gln-Ala-Arg-AMC substrate addition and measured every 30 secs for 15 mi...

J Med Chem 63: 3004-3027 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01689
BindingDB Entry DOI: 10.7270/Q2N3018J
More data for this
Ligand-Target Pair
Tryptase beta-2


(Mus musculus)		BDBM50511181
PNG
(CHEMBL4464544)
Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H22N2O3/c20-12-13-2-1-3-15(10-13)14-6-8-21(9-7-14)19(24)16-4-5-17(22)18(23)11-16/h1-5,10-11,14,22-23H,6-9,12,20H2
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n/an/a 2.31E+3n/an/an/an/an/an/a



Weill Cornell Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse MCP6 pre-incubated for 3 hrs before N-tert-butoxycarbonyl-Gln-Ala-Arg-AMC substrate addition and measured every 30 secs for 15 mi...

J Med Chem 63: 3004-3027 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01689
BindingDB Entry DOI: 10.7270/Q2N3018J
More data for this
Ligand-Target Pair
Tryptase beta-2


(Mus musculus)		BDBM50511182
PNG
(CHEMBL4576109)
Show SMILES NCc1ccc2OCC3(CCN(CC3)C(=O)c3ccc(O)c(O)c3)c2c1
Show InChI InChI=1S/C20H22N2O4/c21-11-13-1-4-18-15(9-13)20(12-26-18)5-7-22(8-6-20)19(25)14-2-3-16(23)17(24)10-14/h1-4,9-10,23-24H,5-8,11-12,21H2
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n/an/a 2.54E+3n/an/an/an/an/an/a



Weill Cornell Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse MCP6 pre-incubated for 3 hrs before N-tert-butoxycarbonyl-Gln-Ala-Arg-AMC substrate addition and measured every 30 secs for 15 mi...

J Med Chem 63: 3004-3027 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01689
BindingDB Entry DOI: 10.7270/Q2N3018J
More data for this
Ligand-Target Pair
Tryptase beta-2


(Mus musculus)		BDBM50511180
PNG
(CHEMBL4548912)
Show SMILES NCc1ccc2OCC3(CCN(CC3)C(=O)c3cccc(c3)-c3cccc4B(O)OCc34)c2c1
Show InChI InChI=1S/C27H27BN2O4/c29-15-18-7-8-25-23(13-18)27(17-33-25)9-11-30(12-10-27)26(31)20-4-1-3-19(14-20)21-5-2-6-24-22(21)16-34-28(24)32/h1-8,13-14,32H,9-12,15-17,29H2
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n/an/a 2.89E+3n/an/an/an/an/an/a



Weill Cornell Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse MCP6 pre-incubated for 3 hrs before N-tert-butoxycarbonyl-Gln-Ala-Arg-AMC substrate addition and measured every 30 secs for 15 mi...

J Med Chem 63: 3004-3027 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01689
BindingDB Entry DOI: 10.7270/Q2N3018J
More data for this
Ligand-Target Pair
Tryptase beta-2


(Mus musculus)		BDBM50511192
PNG
(CHEMBL4578086)
Show SMILES NCc1ccc2OCC3(CCN(CC3)C(=O)c3ccc(CO)c(O)c3)c2c1
Show InChI InChI=1S/C21H24N2O4/c22-11-14-1-4-19-17(9-14)21(13-27-19)5-7-23(8-6-21)20(26)15-2-3-16(12-24)18(25)10-15/h1-4,9-10,24-25H,5-8,11-13,22H2
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n/an/a 4.69E+3n/an/an/an/an/an/a



Weill Cornell Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse MCP6 pre-incubated for 3 hrs before N-tert-butoxycarbonyl-Gln-Ala-Arg-AMC substrate addition and measured every 30 secs for 15 mi...

J Med Chem 63: 3004-3027 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01689
BindingDB Entry DOI: 10.7270/Q2N3018J
More data for this
Ligand-Target Pair
Tryptase beta-2


(Mus musculus)		BDBM50511184
PNG
(CHEMBL4518997)
Show SMILES COc1cc(cc(O)c1O)C(=O)N1CCC(CC1)c1cccc(CN)c1
Show InChI InChI=1S/C20H24N2O4/c1-26-18-11-16(10-17(23)19(18)24)20(25)22-7-5-14(6-8-22)15-4-2-3-13(9-15)12-21/h2-4,9-11,14,23-24H,5-8,12,21H2,1H3
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n/an/a 7.43E+3n/an/an/an/an/an/a



Weill Cornell Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse MCP6 pre-incubated for 3 hrs before N-tert-butoxycarbonyl-Gln-Ala-Arg-AMC substrate addition and measured every 30 secs for 15 mi...

J Med Chem 63: 3004-3027 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01689
BindingDB Entry DOI: 10.7270/Q2N3018J
More data for this
Ligand-Target Pair
Tryptase beta-2


(Mus musculus)		BDBM50511183
PNG
(CHEMBL4465979)
Show SMILES NCc1ccc2OCC3(CCN(CC3)C(=O)c3cc(O)c(O)c(Cl)c3)c2c1
Show InChI InChI=1S/C20H21ClN2O4/c21-15-8-13(9-16(24)18(15)25)19(26)23-5-3-20(4-6-23)11-27-17-2-1-12(10-22)7-14(17)20/h1-2,7-9,24-25H,3-6,10-11,22H2
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n/an/a 1.17E+4n/an/an/an/an/an/a



Weill Cornell Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse MCP6 pre-incubated for 3 hrs before N-tert-butoxycarbonyl-Gln-Ala-Arg-AMC substrate addition and measured every 30 secs for 15 mi...

J Med Chem 63: 3004-3027 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01689
BindingDB Entry DOI: 10.7270/Q2N3018J
More data for this
Ligand-Target Pair
Tryptase beta-2


(Mus musculus)		BDBM50511185
PNG
(CHEMBL4446603)
Show SMILES COc1cc(cc(O)c1O)C(=O)N1CCC2(COc3ccc(CN)cc23)CC1
Show InChI InChI=1S/C21H24N2O5/c1-27-18-10-14(9-16(24)19(18)25)20(26)23-6-4-21(5-7-23)12-28-17-3-2-13(11-22)8-15(17)21/h2-3,8-10,24-25H,4-7,11-12,22H2,1H3
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n/an/a 1.18E+4n/an/an/an/an/an/a



Weill Cornell Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse MCP6 pre-incubated for 3 hrs before N-tert-butoxycarbonyl-Gln-Ala-Arg-AMC substrate addition and measured every 30 secs for 15 mi...

J Med Chem 63: 3004-3027 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01689
BindingDB Entry DOI: 10.7270/Q2N3018J
More data for this
Ligand-Target Pair
Tryptase beta-2


(Mus musculus)		BDBM50511188
PNG
(CHEMBL4461928)
Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1cc(O)c(O)c(Cl)c1
Show InChI InChI=1S/C19H21ClN2O3/c20-16-9-15(10-17(23)18(16)24)19(25)22-6-4-13(5-7-22)14-3-1-2-12(8-14)11-21/h1-3,8-10,13,23-24H,4-7,11,21H2
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n/an/a 1.75E+4n/an/an/an/an/an/a



Weill Cornell Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse MCP6 pre-incubated for 3 hrs before N-tert-butoxycarbonyl-Gln-Ala-Arg-AMC substrate addition and measured every 30 secs for 15 mi...

J Med Chem 63: 3004-3027 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01689
BindingDB Entry DOI: 10.7270/Q2N3018J
More data for this
Ligand-Target Pair