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PubMed code 11312927

Compile data set for download or QSAR
Found 64 hits of Enzyme Inhibition Constant Data   
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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
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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3.68n/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)


Article DOI: 10.1021/jm000496v
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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098854
PNG
(2-{2-[2-(5-Amino-6-oxo-2-phenyl-6H-pyrimidin-1-yl)...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccccc1
Show InChI InChI=1S/C30H25N5O6/c1-40-30(39)20-12-13-24-22(15-20)34-28(41-24)26(37)23(14-18-8-4-2-5-9-18)33-25(36)17-35-27(19-10-6-3-7-11-19)32-16-21(31)29(35)38/h2-13,15-16,23H,14,17,31H2,1H3,(H,33,36)
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5.57n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098841
PNG
(2-(2-{2-[5-Amino-2-(3-amino-phenyl)-6-oxo-6H-pyrim...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(N)c1
Show InChI InChI=1S/C30H26N6O6/c1-41-30(40)19-10-11-24-22(14-19)35-28(42-24)26(38)23(12-17-6-3-2-4-7-17)34-25(37)16-36-27(33-15-21(32)29(36)39)18-8-5-9-20(31)13-18/h2-11,13-15,23H,12,16,31-32H2,1H3,(H,34,37)
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5.60n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM87059
PNG
(CHEMBL247767 | Chymostatin)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCNC(N)=N1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C31H41N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21/h3-12,18-19,22-26H,13-17H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H3,32,33,36)(H2,37,38,44)/t22-,23?,24-,25-,26-/m0/s1
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9.36n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM87059
PNG
(CHEMBL247767 | Chymostatin)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCNC(N)=N1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C31H41N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21/h3-12,18-19,22-26H,13-17H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H3,32,33,36)(H2,37,38,44)/t22-,23?,24-,25-,26-/m0/s1
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13.1n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
inhibitory activity was evaluated against chymase from human heart.


J Med Chem 44: 1286-96 (2001)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098849
PNG
(2-(2-{2-[5-Amino-2-(3-fluoro-phenyl)-6-oxo-6H-pyri...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(F)c1
Show InChI InChI=1S/C30H24FN5O6/c1-41-30(40)19-10-11-24-22(14-19)35-28(42-24)26(38)23(12-17-6-3-2-4-7-17)34-25(37)16-36-27(33-15-21(32)29(36)39)18-8-5-9-20(31)13-18/h2-11,13-15,23H,12,16,32H2,1H3,(H,34,37)
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14.3n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
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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22.6n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098842
PNG
(2-(2-{2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyri...)
Show SMILES CCN(CC)C(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C33H31FN6O5/c1-3-39(4-2)32(43)22-12-15-27-25(17-22)38-31(45-27)29(42)26(16-20-8-6-5-7-9-20)37-28(41)19-40-30(36-18-24(35)33(40)44)21-10-13-23(34)14-11-21/h5-15,17-18,26H,3-4,16,19,35H2,1-2H3,(H,37,41)
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23.3n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098844
PNG
(2-(2-{2-[5-Amino-2-(3-chloro-phenyl)-6-oxo-6H-pyri...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C30H24ClN5O6/c1-41-30(40)19-10-11-24-22(14-19)35-28(42-24)26(38)23(12-17-6-3-2-4-7-17)34-25(37)16-36-27(33-15-21(32)29(36)39)18-8-5-9-20(31)13-18/h2-11,13-15,23H,12,16,32H2,1H3,(H,34,37)
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26.1n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098861
PNG
(2-(2-{2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyri...)
Show SMILES CCOC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C31H26FN5O6/c1-2-42-31(41)20-10-13-25-23(15-20)36-29(43-25)27(39)24(14-18-6-4-3-5-7-18)35-26(38)17-37-28(34-16-22(33)30(37)40)19-8-11-21(32)12-9-19/h3-13,15-16,24H,2,14,17,33H2,1H3,(H,35,38)
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30n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098862
PNG
(2-(2-{2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyri...)
Show SMILES CCNC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C31H27FN6O5/c1-2-34-29(41)20-10-13-25-23(15-20)37-30(43-25)27(40)24(14-18-6-4-3-5-7-18)36-26(39)17-38-28(35-16-22(33)31(38)42)19-8-11-21(32)12-9-19/h3-13,15-16,24H,2,14,17,33H2,1H3,(H,34,41)(H,36,39)
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32.6n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Mast cell protease 9


(Mus musculus)
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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40.4n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098864
PNG
(2-(2-{2-[5-Amino-2-(3-nitro-phenyl)-6-oxo-6H-pyrim...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C30H24N6O8/c1-43-30(40)19-10-11-24-22(14-19)34-28(44-24)26(38)23(12-17-6-3-2-4-7-17)33-25(37)16-35-27(32-15-21(31)29(35)39)18-8-5-9-20(13-18)36(41)42/h2-11,13-15,23H,12,16,31H2,1H3,(H,33,37)
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41.8n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098843
PNG
(2-{2-[2-(5-Amino-6-oxo-2-pyridin-4-yl-6H-pyrimidin...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccncc1
Show InChI InChI=1S/C29H24N6O6/c1-40-29(39)19-7-8-23-21(14-19)34-27(41-23)25(37)22(13-17-5-3-2-4-6-17)33-24(36)16-35-26(18-9-11-31-12-10-18)32-15-20(30)28(35)38/h2-12,14-15,22H,13,16,30H2,1H3,(H,33,36)
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43.5n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098838
PNG
(2-{2-[2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-yl...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(C)c1
Show InChI InChI=1S/C31H27N5O6/c1-18-7-6-10-20(13-18)28-33-16-22(32)30(39)36(28)17-26(37)34-24(14-19-8-4-3-5-9-19)27(38)29-35-23-15-21(31(40)41-2)11-12-25(23)42-29/h3-13,15-16,24H,14,17,32H2,1-2H3,(H,34,37)
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44.2n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098839
PNG
(2-{2-[2-(5-Amino-6-oxo-2-pyridin-3-yl-6H-pyrimidin...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccnc1
Show InChI InChI=1S/C29H24N6O6/c1-40-29(39)18-9-10-23-21(13-18)34-27(41-23)25(37)22(12-17-6-3-2-4-7-17)33-24(36)16-35-26(19-8-5-11-31-14-19)32-15-20(30)28(35)38/h2-11,13-15,22H,12,16,30H2,1H3,(H,33,36)
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45.1n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098854
PNG
(2-{2-[2-(5-Amino-6-oxo-2-phenyl-6H-pyrimidin-1-yl)...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccccc1
Show InChI InChI=1S/C30H25N5O6/c1-40-30(39)20-12-13-24-22(15-20)34-28(41-24)26(37)23(14-18-8-4-2-5-9-18)33-25(36)17-35-27(19-10-6-3-7-11-19)32-16-21(31)29(35)38/h2-13,15-16,23H,14,17,31H2,1H3,(H,33,36)
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46.8n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098838
PNG
(2-{2-[2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-yl...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(C)c1
Show InChI InChI=1S/C31H27N5O6/c1-18-7-6-10-20(13-18)28-33-16-22(32)30(39)36(28)17-26(37)34-24(14-19-8-4-3-5-9-19)27(38)29-35-23-15-21(31(40)41-2)11-12-25(23)42-29/h3-13,15-16,24H,14,17,32H2,1-2H3,(H,34,37)
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47.7n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098856
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES COc1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C29H24FN5O5/c1-39-20-11-12-24-22(14-20)34-28(40-24)26(37)23(13-17-5-3-2-4-6-17)33-25(36)16-35-27(32-15-21(31)29(35)38)18-7-9-19(30)10-8-18/h2-12,14-15,23H,13,16,31H2,1H3,(H,33,36)
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48n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
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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52.9n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098858
PNG
(2-(2-{2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyri...)
Show SMILES NC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C29H23FN6O5/c30-19-9-6-17(7-10-19)27-33-14-20(31)29(40)36(27)15-24(37)34-22(12-16-4-2-1-3-5-16)25(38)28-35-21-13-18(26(32)39)8-11-23(21)41-28/h1-11,13-14,22H,12,15,31H2,(H2,32,39)(H,34,37)
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53.4n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098848
PNG
(2-(2-{2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyri...)
Show SMILES COC(=O)c1ccc2nc(oc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C30H24FN5O6/c1-41-30(40)19-9-12-22-24(14-19)42-28(35-22)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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56.3n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098842
PNG
(2-(2-{2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyri...)
Show SMILES CCN(CC)C(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C33H31FN6O5/c1-3-39(4-2)32(43)22-12-15-27-25(17-22)38-31(45-27)29(42)26(16-20-8-6-5-7-9-20)37-28(41)19-40-30(36-18-24(35)33(40)44)21-10-13-23(34)14-11-21/h5-15,17-18,26H,3-4,16,19,35H2,1-2H3,(H,37,41)
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59.5n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098855
PNG
(CHEMBL23870 | N-[2-(5-Amino-benzooxazol-2-yl)-1-be...)
Show SMILES Nc1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C28H23FN6O4/c29-18-8-6-17(7-9-18)26-32-14-20(31)28(38)35(26)15-24(36)33-22(12-16-4-2-1-3-5-16)25(37)27-34-21-13-19(30)10-11-23(21)39-27/h1-11,13-14,22H,12,15,30-31H2,(H,33,36)
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60n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098857
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nc3ncccc3o2)c1=O
Show InChI InChI=1S/C27H21FN6O4/c28-18-10-8-17(9-11-18)25-31-14-19(29)27(37)34(25)15-22(35)32-20(13-16-5-2-1-3-6-16)23(36)26-33-24-21(38-26)7-4-12-30-24/h1-12,14,20H,13,15,29H2,(H,32,35)
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60.5n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098857
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nc3ncccc3o2)c1=O
Show InChI InChI=1S/C27H21FN6O4/c28-18-10-8-17(9-11-18)25-31-14-19(29)27(37)34(25)15-22(35)32-20(13-16-5-2-1-3-6-16)23(36)26-33-24-21(38-26)7-4-12-30-24/h1-12,14,20H,13,15,29H2,(H,32,35)
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60.6n/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)


Article DOI: 10.1021/jm000496v
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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098851
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nc3cc(F)ccc3o2)c1=O
Show InChI InChI=1S/C28H21F2N5O4/c29-18-8-6-17(7-9-18)26-32-14-20(31)28(38)35(26)15-24(36)33-22(12-16-4-2-1-3-5-16)25(37)27-34-21-13-19(30)10-11-23(21)39-27/h1-11,13-14,22H,12,15,31H2,(H,33,36)
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65.1n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098862
PNG
(2-(2-{2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyri...)
Show SMILES CCNC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C31H27FN6O5/c1-2-34-29(41)20-10-13-25-23(15-20)37-30(43-25)27(40)24(14-18-6-4-3-5-7-18)36-26(39)17-38-28(35-16-22(33)31(38)42)19-8-11-21(32)12-9-19/h3-13,15-16,24H,2,14,17,33H2,1H3,(H,34,41)(H,36,39)
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68.6n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098848
PNG
(2-(2-{2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyri...)
Show SMILES COC(=O)c1ccc2nc(oc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C30H24FN5O6/c1-41-30(40)19-9-12-22-24(14-19)42-28(35-22)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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71.3n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098856
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES COc1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C29H24FN5O5/c1-39-20-11-12-24-22(14-20)34-28(40-24)26(37)23(13-17-5-3-2-4-6-17)33-25(36)16-35-27(32-15-21(31)29(35)38)18-7-9-19(30)10-8-18/h2-12,14-15,23H,13,16,31H2,1H3,(H,33,36)
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73.3n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098850
PNG
(2-(2-{2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyri...)
Show SMILES Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nc3cc(ccc3o2)C(O)=O)c1=O
Show InChI InChI=1S/C29H22FN5O6/c30-19-9-6-17(7-10-19)26-32-14-20(31)28(38)35(26)15-24(36)33-22(12-16-4-2-1-3-5-16)25(37)27-34-21-13-18(29(39)40)8-11-23(21)41-27/h1-11,13-14,22H,12,15,31H2,(H,33,36)(H,39,40)
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76n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098839
PNG
(2-{2-[2-(5-Amino-6-oxo-2-pyridin-3-yl-6H-pyrimidin...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccnc1
Show InChI InChI=1S/C29H24N6O6/c1-40-29(39)18-9-10-23-21(13-18)34-27(41-23)25(37)22(12-17-6-3-2-4-7-17)33-24(36)16-35-26(19-8-5-11-31-14-19)32-15-20(30)28(35)38/h2-11,13-15,22H,12,16,30H2,1H3,(H,33,36)
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77.4n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
inhibitory activity was evaluated against chymase from human heart.


J Med Chem 44: 1286-96 (2001)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098852
PNG
(CHEMBL540507 | Hydrochloride salt of1-(2-Amino-3-m...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C20H26F3N3O3/c1-12(2)16(24)19(29)26-10-6-9-15(26)18(28)25-14(17(27)20(21,22)23)11-13-7-4-3-5-8-13/h3-5,7-8,12,14-16H,6,9-11,24H2,1-2H3,(H,25,28)/t14?,15-,16-/m0/s1
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82.1n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
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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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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098851
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nc3cc(F)ccc3o2)c1=O
Show InChI InChI=1S/C28H21F2N5O4/c29-18-8-6-17(7-9-18)26-32-14-20(31)28(38)35(26)15-24(36)33-22(12-16-4-2-1-3-5-16)25(37)27-34-21-13-19(30)10-11-23(21)39-27/h1-11,13-14,22H,12,15,31H2,(H,33,36)
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93.1n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098858
PNG
(2-(2-{2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyri...)
Show SMILES NC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C29H23FN6O5/c30-19-9-6-17(7-10-19)27-33-14-20(31)29(40)36(27)15-24(37)34-22(12-16-4-2-1-3-5-16)25(38)28-35-21-13-18(26(32)39)8-11-23(21)41-28/h1-11,13-14,22H,12,15,31H2,(H2,32,39)(H,34,37)
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94n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
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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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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098860
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nc3ccccc3o2)c1=O
Show InChI InChI=1S/C28H22FN5O4/c29-19-12-10-18(11-13-19)26-31-15-20(30)28(37)34(26)16-24(35)32-22(14-17-6-2-1-3-7-17)25(36)27-33-21-8-4-5-9-23(21)38-27/h1-13,15,22H,14,16,30H2,(H,32,35)
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125n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098850
PNG
(2-(2-{2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyri...)
Show SMILES Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nc3cc(ccc3o2)C(O)=O)c1=O
Show InChI InChI=1S/C29H22FN5O6/c30-19-9-6-17(7-10-19)26-32-14-20(31)28(38)35(26)15-24(36)33-22(12-16-4-2-1-3-5-16)25(37)27-34-21-13-18(29(39)40)8-11-23(21)41-27/h1-11,13-14,22H,12,15,31H2,(H,33,36)(H,39,40)
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133n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098845
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nc3ccccc3s2)c1=O
Show InChI InChI=1S/C28H22FN5O3S/c29-19-12-10-18(11-13-19)26-31-15-20(30)28(37)34(26)16-24(35)32-22(14-17-6-2-1-3-7-17)25(36)27-33-21-8-4-5-9-23(21)38-27/h1-13,15,22H,14,16,30H2,(H,32,35)
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166n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098846
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nc3cc(ccc3o2)-c2ccccc2)c1=O
Show InChI InChI=1S/C34H26FN5O4/c35-25-14-11-23(12-15-25)32-37-19-26(36)34(43)40(32)20-30(41)38-28(17-21-7-3-1-4-8-21)31(42)33-39-27-18-24(13-16-29(27)44-33)22-9-5-2-6-10-22/h1-16,18-19,28H,17,20,36H2,(H,38,41)
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174n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
inhibitory activity was evaluated against chymase from human heart.


J Med Chem 44: 1286-96 (2001)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098845
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nc3ccccc3s2)c1=O
Show InChI InChI=1S/C28H22FN5O3S/c29-19-12-10-18(11-13-19)26-31-15-20(30)28(37)34(26)16-24(35)32-22(14-17-6-2-1-3-7-17)25(36)27-33-21-8-4-5-9-23(21)38-27/h1-13,15,22H,14,16,30H2,(H,32,35)
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182n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098855
PNG
(CHEMBL23870 | N-[2-(5-Amino-benzooxazol-2-yl)-1-be...)
Show SMILES Nc1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C28H23FN6O4/c29-18-8-6-17(7-9-18)26-32-14-20(31)28(38)35(26)15-24(36)33-22(12-16-4-2-1-3-5-16)25(37)27-34-21-13-19(30)10-11-23(21)39-27/h1-11,13-14,22H,12,15,30-31H2,(H,33,36)
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183n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098860
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nc3ccccc3o2)c1=O
Show InChI InChI=1S/C28H22FN5O4/c29-19-12-10-18(11-13-19)26-31-15-20(30)28(37)34(26)16-24(35)32-22(14-17-6-2-1-3-7-17)25(36)27-33-21-8-4-5-9-23(21)38-27/h1-13,15,22H,14,16,30H2,(H,32,35)
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229n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098843
PNG
(2-{2-[2-(5-Amino-6-oxo-2-pyridin-4-yl-6H-pyrimidin...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccncc1
Show InChI InChI=1S/C29H24N6O6/c1-40-29(39)19-7-8-23-21(14-19)34-27(41-23)25(37)22(13-17-5-3-2-4-6-17)33-24(36)16-35-26(18-9-11-31-12-10-18)32-15-20(30)28(35)38/h2-12,14-15,22H,13,16,30H2,1H3,(H,33,36)
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467n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098861
PNG
(2-(2-{2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyri...)
Show SMILES CCOC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C31H26FN5O6/c1-2-42-31(41)20-10-13-25-23(15-20)36-29(43-25)27(39)24(14-18-6-4-3-5-7-18)35-26(38)17-37-28(34-16-22(33)30(37)40)19-8-11-21(32)12-9-19/h3-13,15-16,24H,2,14,17,33H2,1H3,(H,35,38)
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477n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098865
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)C2=NCCO2)c1=O
Show InChI InChI=1S/C24H22FN5O4/c25-17-8-6-16(7-9-17)22-28-13-18(26)24(33)30(22)14-20(31)29-19(12-15-4-2-1-3-5-15)21(32)23-27-10-11-34-23/h1-9,13,19H,10-12,14,26H2,(H,29,31)
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589n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
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
720n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098841
PNG
(2-(2-{2-[5-Amino-2-(3-amino-phenyl)-6-oxo-6H-pyrim...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(N)c1
Show InChI InChI=1S/C30H26N6O6/c1-41-30(40)19-10-11-24-22(14-19)35-28(42-24)26(38)23(12-17-6-3-2-4-7-17)34-25(37)16-36-27(33-15-21(32)29(36)39)18-8-5-9-20(31)13-18/h2-11,13-15,23H,12,16,31-32H2,1H3,(H,34,37)
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855n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50098846
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nc3cc(ccc3o2)-c2ccccc2)c1=O
Show InChI InChI=1S/C34H26FN5O4/c35-25-14-11-23(12-15-25)32-37-19-26(36)34(43)40(32)20-30(41)38-28(17-21-7-3-1-4-8-21)31(42)33-39-27-18-24(13-16-29(27)44-33)22-9-5-2-6-10-22/h1-16,18-19,28H,17,20,36H2,(H,38,41)
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1.63E+3n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098849
PNG
(2-(2-{2-[5-Amino-2-(3-fluoro-phenyl)-6-oxo-6H-pyri...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(F)c1
Show InChI InChI=1S/C30H24FN5O6/c1-41-30(40)19-10-11-24-22(14-19)35-28(42-24)26(38)23(12-17-6-3-2-4-7-17)34-25(37)16-36-27(33-15-21(32)29(36)39)18-8-5-9-20(31)13-18/h2-11,13-15,23H,12,16,32H2,1H3,(H,34,37)
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1.77E+3n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098859
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nc3cc(O)ccc3o2)c1=O
Show InChI InChI=1S/C28H22FN5O5/c29-18-8-6-17(7-9-18)26-31-14-20(30)28(38)34(26)15-24(36)32-22(12-16-4-2-1-3-5-16)25(37)27-33-21-13-19(35)10-11-23(21)39-27/h1-11,13-14,22,35H,12,15,30H2,(H,32,36)
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2.12E+3n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098859
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nc3cc(O)ccc3o2)c1=O
Show InChI InChI=1S/C28H22FN5O5/c29-18-8-6-17(7-9-18)26-31-14-20(30)28(38)34(26)15-24(36)32-22(12-16-4-2-1-3-5-16)25(37)27-33-21-13-19(35)10-11-23(21)39-27/h1-11,13-14,22,35H,12,15,30H2,(H,32,36)
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2.23E+3n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098840
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nccs2)c1=O
Show InChI InChI=1S/C24H20FN5O3S/c25-17-8-6-16(7-9-17)22-28-13-18(26)24(33)30(22)14-20(31)29-19(12-15-4-2-1-3-5-15)21(32)23-27-10-11-34-23/h1-11,13,19H,12,14,26H2,(H,29,31)
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3.50E+3n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098844
PNG
(2-(2-{2-[5-Amino-2-(3-chloro-phenyl)-6-oxo-6H-pyri...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C30H24ClN5O6/c1-41-30(40)19-10-11-24-22(14-19)35-28(42-24)26(38)23(12-17-6-3-2-4-7-17)34-25(37)16-36-27(33-15-21(32)29(36)39)18-8-5-9-20(31)13-18/h2-11,13-15,23H,12,16,32H2,1H3,(H,34,37)
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3.82E+3n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50098840
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nccs2)c1=O
Show InChI InChI=1S/C24H20FN5O3S/c25-17-8-6-16(7-9-17)22-28-13-18(26)24(33)30(22)14-20(31)29-19(12-15-4-2-1-3-5-15)21(32)23-27-10-11-34-23/h1-11,13,19H,12,14,26H2,(H,29,31)
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3.85E+3n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098852
PNG
(CHEMBL540507 | Hydrochloride salt of1-(2-Amino-3-m...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C20H26F3N3O3/c1-12(2)16(24)19(29)26-10-6-9-15(26)18(28)25-14(17(27)20(21,22)23)11-13-7-4-3-5-8-13/h3-5,7-8,12,14-16H,6,9-11,24H2,1-2H3,(H,25,28)/t14?,15-,16-/m0/s1
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4.40E+3n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098865
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)C2=NCCO2)c1=O
Show InChI InChI=1S/C24H22FN5O4/c25-17-8-6-16(7-9-17)22-28-13-18(26)24(33)30(22)14-20(31)29-19(12-15-4-2-1-3-5-15)21(32)23-27-10-11-34-23/h1-9,13,19H,10-12,14,26H2,(H,29,31)
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9.32E+3n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098864
PNG
(2-(2-{2-[5-Amino-2-(3-nitro-phenyl)-6-oxo-6H-pyrim...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C30H24N6O8/c1-43-30(40)19-10-11-24-22(14-19)34-28(44-24)26(38)23(12-17-6-3-2-4-7-17)33-25(37)16-35-27(32-15-21(31)29(35)39)18-8-5-9-20(13-18)36(41)42/h2-11,13-15,23H,12,16,31H2,1H3,(H,33,37)
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1.15E+4n/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)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%