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22 similar compounds to monomer 50093750

Compile data set for download or QSAR
Wt: 610.5
BDBM50093751
Wt: 624.6
BDBM50093716
Wt: 580.6
BDBM50093717
Wt: 634.5
BDBM50093718
Wt: 642.6
BDBM50093719
Wt: 642.6
BDBM50093720
Wt: 642.6
BDBM50093721
Wt: 623.6
BDBM50093722
Wt: 612.6
BDBM50093724
Wt: 624.6
BDBM50093725
Wt: 656.7
BDBM50093726
Wt: 642.6
BDBM50093727
Wt: 670.6
BDBM50093733
Wt: 580.6
BDBM50093734
Wt: 566.5
BDBM50093736
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50093751,50093716,50093717,50093718,50093719,50093720,50093721,50093722,50093724,50093725,50093726,50093727,50093733,50093734,50093736   
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))
BDBM50093716
PNG
((6R,7R)-3-(1-Carboxymethyl-1H-tetrazol-5-ylsulfany...)
Show SMILES CO[C@]1(NC(=O)Cc2ccc(O)cc2)[C@H]2OCC(CSc3nnnn3CC(O)=O)=C(N2C1=O)C(=O)OCc1cccc(C)c1
Show InChI InChI=1S/C28H28N6O9S/c1-16-4-3-5-18(10-16)13-42-24(39)23-19(15-44-27-30-31-32-33(27)12-22(37)38)14-43-26-28(41-2,25(40)34(23)26)29-21(36)11-17-6-8-20(35)9-7-17/h3-10,26,35H,11-15H2,1-2H3,(H,29,36)(H,37,38)/t26-,28+/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 2397-401 (2001)


Article DOI: 10.1016/s0960-894x(00)00488-1
BindingDB Entry DOI: 10.7270/Q27H1HVR
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50093716
PNG
((6R,7R)-3-(1-Carboxymethyl-1H-tetrazol-5-ylsulfany...)
Show SMILES CO[C@]1(NC(=O)Cc2ccc(O)cc2)[C@H]2OCC(CSc3nnnn3CC(O)=O)=C(N2C1=O)C(=O)OCc1cccc(C)c1
Show InChI InChI=1S/C28H28N6O9S/c1-16-4-3-5-18(10-16)13-42-24(39)23-19(15-44-27-30-31-32-33(27)12-22(37)38)14-43-26-28(41-2,25(40)34(23)26)29-21(36)11-17-6-8-20(35)9-7-17/h3-10,26,35H,11-15H2,1-2H3,(H,29,36)(H,37,38)/t26-,28+/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 2397-401 (2001)


Article DOI: 10.1016/s0960-894x(00)00488-1
BindingDB Entry DOI: 10.7270/Q27H1HVR
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50093718
PNG
((6R,7R)-7-[2-(4-Hydroxy-phenyl)-acetylamino]-7-met...)
Show SMILES CO[C@]1(NC(=O)Cc2ccc(O)cc2)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H25F3N6O7S/c1-35-25(32-33-34-35)44-14-17-13-43-24-26(41-2,31-20(38)11-15-6-8-19(37)9-7-15)23(40)36(24)21(17)22(39)42-12-16-4-3-5-18(10-16)27(28,29)30/h3-10,24,37H,11-14H2,1-2H3,(H,31,38)/t24-,26+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 2397-401 (2001)


Article DOI: 10.1016/s0960-894x(00)00488-1
BindingDB Entry DOI: 10.7270/Q27H1HVR
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50093719
PNG
((6R,7R)-7-Methoxy-7-(4-methoxy-benzoylamino)-3-(1-...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H30N6O7S/c1-37-31(34-35-36-37)46-19-23-18-44-30-32(43-3,33-27(39)22-14-16-24(42-2)17-15-22)29(41)38(30)25(23)28(40)45-26(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,26,30H,18-19H2,1-3H3,(H,33,39)/t30-,32+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 2397-401 (2001)


Article DOI: 10.1016/s0960-894x(00)00488-1
BindingDB Entry DOI: 10.7270/Q27H1HVR
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50093720
PNG
((6R,7R)-7-[2-(4-Hydroxy-phenyl)-acetylamino]-7-met...)
Show SMILES CO[C@]1(NC(=O)Cc2ccc(O)cc2)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H30N6O7S/c1-37-31(34-35-36-37)46-19-23-18-44-30-32(43-2,33-25(40)17-20-13-15-24(39)16-14-20)29(42)38(30)26(23)28(41)45-27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,27,30,39H,17-19H2,1-2H3,(H,33,40)/t30-,32+/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 2397-401 (2001)


Article DOI: 10.1016/s0960-894x(00)00488-1
BindingDB Entry DOI: 10.7270/Q27H1HVR
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50093721
PNG
((6R,7R)-7-Methoxy-7-(3-methoxy-benzoylamino)-3-(1-...)
Show SMILES COc1cccc(c1)C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H30N6O7S/c1-37-31(34-35-36-37)46-19-23-18-44-30-32(43-3,33-27(39)22-15-10-16-24(17-22)42-2)29(41)38(30)25(23)28(40)45-26(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-17,26,30H,18-19H2,1-3H3,(H,33,39)/t30-,32+/m1/s1
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n/an/a 7.31E+3n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 2397-401 (2001)


Article DOI: 10.1016/s0960-894x(00)00488-1
BindingDB Entry DOI: 10.7270/Q27H1HVR
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50093722
PNG
((6R,7R)-3-(4-Carboxymethyl-4H-[1,2,4]triazol-3-yls...)
Show SMILES COc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nncn3CC(O)=O)=C(N2C1=O)C(=O)OCc1cccc(C)c1
Show InChI InChI=1S/C29H29N5O9S/c1-17-7-6-8-18(11-17)13-42-25(38)23-19(15-44-28-32-30-16-33(28)12-22(35)36)14-43-27-29(41-3,26(39)34(23)27)31-24(37)20-9-4-5-10-21(20)40-2/h4-11,16,27H,12-15H2,1-3H3,(H,31,37)(H,35,36)/t27-,29+/m1/s1
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n/an/a 440n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibitory activity against trypsin


Bioorg Med Chem Lett 10: 2397-401 (2001)


Article DOI: 10.1016/s0960-894x(00)00488-1
BindingDB Entry DOI: 10.7270/Q27H1HVR
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50093724
PNG
((6R,7R)-7-Benzoylamino-7-methoxy-3-(1-methyl-2,3-d...)
Show SMILES CO[C@]1(NC(=O)c2ccccc2)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H28N6O6S/c1-36-30(33-34-35-36)44-19-23-18-42-29-31(41-2,32-26(38)22-16-10-5-11-17-22)28(40)37(29)24(23)27(39)43-25(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-17,25,29H,18-19H2,1-2H3,(H,32,38)/t29-,31+/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 2397-401 (2001)


Article DOI: 10.1016/s0960-894x(00)00488-1
BindingDB Entry DOI: 10.7270/Q27H1HVR
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50093725
PNG
((6R,7R)-7-[2-(4-Hydroxy-phenyl)-acetylamino]-7-met...)
Show SMILES COC(=O)c1cccc(COC(=O)C2=C(CSc3nnnn3C)CO[C@H]3N2C(=O)[C@]3(NC(=O)Cc2ccc(O)cc2)OC)c1
Show InChI InChI=1S/C28H28N6O9S/c1-33-27(30-31-32-33)44-15-19-14-43-26-28(41-3,29-21(36)12-16-7-9-20(35)10-8-16)25(39)34(26)22(19)24(38)42-13-17-5-4-6-18(11-17)23(37)40-2/h4-11,26,35H,12-15H2,1-3H3,(H,29,36)/t26-,28+/m1/s1
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n/an/a 1.65E+3n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 2397-401 (2001)


Article DOI: 10.1016/s0960-894x(00)00488-1
BindingDB Entry DOI: 10.7270/Q27H1HVR
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50093722
PNG
((6R,7R)-3-(4-Carboxymethyl-4H-[1,2,4]triazol-3-yls...)
Show SMILES COc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nncn3CC(O)=O)=C(N2C1=O)C(=O)OCc1cccc(C)c1
Show InChI InChI=1S/C29H29N5O9S/c1-17-7-6-8-18(11-17)13-42-25(38)23-19(15-44-28-32-30-16-33(28)12-22(35)36)14-43-27-29(41-3,26(39)34(23)27)31-24(37)20-9-4-5-10-21(20)40-2/h4-11,16,27H,12-15H2,1-3H3,(H,31,37)(H,35,36)/t27-,29+/m1/s1
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n/an/a 230n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibitory activity against cathepsin G


Bioorg Med Chem Lett 10: 2397-401 (2001)


Article DOI: 10.1016/s0960-894x(00)00488-1
BindingDB Entry DOI: 10.7270/Q27H1HVR
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50093722
PNG
((6R,7R)-3-(4-Carboxymethyl-4H-[1,2,4]triazol-3-yls...)
Show SMILES COc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nncn3CC(O)=O)=C(N2C1=O)C(=O)OCc1cccc(C)c1
Show InChI InChI=1S/C29H29N5O9S/c1-17-7-6-8-18(11-17)13-42-25(38)23-19(15-44-28-32-30-16-33(28)12-22(35)36)14-43-27-29(41-3,26(39)34(23)27)31-24(37)20-9-4-5-10-21(20)40-2/h4-11,16,27H,12-15H2,1-3H3,(H,31,37)(H,35,36)/t27-,29+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibitory activity against alpha-chymotrypsin


Bioorg Med Chem Lett 10: 2397-401 (2001)


Article DOI: 10.1016/s0960-894x(00)00488-1
BindingDB Entry DOI: 10.7270/Q27H1HVR
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50093726
PNG
((6R,7R)-7-Methoxy-7-[2-(4-methoxy-phenyl)-acetylam...)
Show SMILES COc1ccc(CC(=O)N[C@@]2(OC)[C@H]3OCC(CSc4nnnn4C)=C(N3C2=O)C(=O)OC(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C33H32N6O7S/c1-38-32(35-36-37-38)47-20-24-19-45-31-33(44-3,34-26(40)18-21-14-16-25(43-2)17-15-21)30(42)39(31)27(24)29(41)46-28(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-17,28,31H,18-20H2,1-3H3,(H,34,40)/t31-,33+/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 2397-401 (2001)


Article DOI: 10.1016/s0960-894x(00)00488-1
BindingDB Entry DOI: 10.7270/Q27H1HVR
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50093727
PNG
((6R,7R)-7-Methoxy-7-(2-methoxy-benzoylamino)-3-(1-...)
Show SMILES COc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H30N6O7S/c1-37-31(34-35-36-37)46-19-22-18-44-30-32(43-3,33-27(39)23-16-10-11-17-24(23)42-2)29(41)38(30)25(22)28(40)45-26(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-17,26,30H,18-19H2,1-3H3,(H,33,39)/t30-,32+/m1/s1
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n/an/a 550n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 2397-401 (2001)


Article DOI: 10.1016/s0960-894x(00)00488-1
BindingDB Entry DOI: 10.7270/Q27H1HVR
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50093722
PNG
((6R,7R)-3-(4-Carboxymethyl-4H-[1,2,4]triazol-3-yls...)
Show SMILES COc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nncn3CC(O)=O)=C(N2C1=O)C(=O)OCc1cccc(C)c1
Show InChI InChI=1S/C29H29N5O9S/c1-17-7-6-8-18(11-17)13-42-25(38)23-19(15-44-28-32-30-16-33(28)12-22(35)36)14-43-27-29(41-3,26(39)34(23)27)31-24(37)20-9-4-5-10-21(20)40-2/h4-11,16,27H,12-15H2,1-3H3,(H,31,37)(H,35,36)/t27-,29+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibitory activity against human neutrophil elastase


Bioorg Med Chem Lett 10: 2397-401 (2001)


Article DOI: 10.1016/s0960-894x(00)00488-1
BindingDB Entry DOI: 10.7270/Q27H1HVR
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50093733
PNG
((6R,7R)-7-Methoxy-7-(2-methoxycarbonyl-benzoylamin...)
Show SMILES COC(=O)c1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H30N6O8S/c1-38-32(35-36-37-38)48-19-22-18-46-31-33(45-3,34-27(40)23-16-10-11-17-24(23)28(41)44-2)30(43)39(31)25(22)29(42)47-26(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-17,26,31H,18-19H2,1-3H3,(H,34,40)/t31-,33+/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 2397-401 (2001)


Article DOI: 10.1016/s0960-894x(00)00488-1
BindingDB Entry DOI: 10.7270/Q27H1HVR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50093722
PNG
((6R,7R)-3-(4-Carboxymethyl-4H-[1,2,4]triazol-3-yls...)
Show SMILES COc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nncn3CC(O)=O)=C(N2C1=O)C(=O)OCc1cccc(C)c1
Show InChI InChI=1S/C29H29N5O9S/c1-17-7-6-8-18(11-17)13-42-25(38)23-19(15-44-28-32-30-16-33(28)12-22(35)36)14-43-27-29(41-3,26(39)34(23)27)31-24(37)20-9-4-5-10-21(20)40-2/h4-11,16,27H,12-15H2,1-3H3,(H,31,37)(H,35,36)/t27-,29+/m1/s1
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n/an/a 430n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibitory activity against thrombin


Bioorg Med Chem Lett 10: 2397-401 (2001)


Article DOI: 10.1016/s0960-894x(00)00488-1
BindingDB Entry DOI: 10.7270/Q27H1HVR
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50093734
PNG
((6R,7R)-7-[2-(4-Hydroxy-phenyl)-acetylamino]-7-met...)
Show SMILES CO[C@]1(NC(=O)Cc2ccc(O)cc2)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1cccc(C)c1
Show InChI InChI=1S/C27H28N6O7S/c1-16-5-4-6-18(11-16)13-39-23(36)22-19(15-41-26-29-30-31-32(26)2)14-40-25-27(38-3,24(37)33(22)25)28-21(35)12-17-7-9-20(34)10-8-17/h4-11,25,34H,12-15H2,1-3H3,(H,28,35)/t25-,27+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 2397-401 (2001)


Article DOI: 10.1016/s0960-894x(00)00488-1
BindingDB Entry DOI: 10.7270/Q27H1HVR
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093722
PNG
((6R,7R)-3-(4-Carboxymethyl-4H-[1,2,4]triazol-3-yls...)
Show SMILES COc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nncn3CC(O)=O)=C(N2C1=O)C(=O)OCc1cccc(C)c1
Show InChI InChI=1S/C29H29N5O9S/c1-17-7-6-8-18(11-17)13-42-25(38)23-19(15-44-28-32-30-16-33(28)12-22(35)36)14-43-27-29(41-3,26(39)34(23)27)31-24(37)20-9-4-5-10-21(20)40-2/h4-11,16,27H,12-15H2,1-3H3,(H,31,37)(H,35,36)/t27-,29+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibitory activity against plasmin


Bioorg Med Chem Lett 10: 2397-401 (2001)


Article DOI: 10.1016/s0960-894x(00)00488-1
BindingDB Entry DOI: 10.7270/Q27H1HVR
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50093736
PNG
((6R,7R)-7-[2-(4-Hydroxy-phenyl)-acetylamino]-7-met...)
Show SMILES CO[C@]1(NC(=O)Cc2ccc(O)cc2)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H26N6O7S/c1-31-25(28-29-30-31)40-15-18-14-39-24-26(37-2,27-20(34)12-16-8-10-19(33)11-9-16)23(36)32(24)21(18)22(35)38-13-17-6-4-3-5-7-17/h3-11,24,33H,12-15H2,1-2H3,(H,27,34)/t24-,26+/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 2397-401 (2001)


Article DOI: 10.1016/s0960-894x(00)00488-1
BindingDB Entry DOI: 10.7270/Q27H1HVR
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50093722
PNG
((6R,7R)-3-(4-Carboxymethyl-4H-[1,2,4]triazol-3-yls...)
Show SMILES COc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nncn3CC(O)=O)=C(N2C1=O)C(=O)OCc1cccc(C)c1
Show InChI InChI=1S/C29H29N5O9S/c1-17-7-6-8-18(11-17)13-42-25(38)23-19(15-44-28-32-30-16-33(28)12-22(35)36)14-43-27-29(41-3,26(39)34(23)27)31-24(37)20-9-4-5-10-21(20)40-2/h4-11,16,27H,12-15H2,1-3H3,(H,31,37)(H,35,36)/t27-,29+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 2397-401 (2001)


Article DOI: 10.1016/s0960-894x(00)00488-1
BindingDB Entry DOI: 10.7270/Q27H1HVR
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50093720
PNG
((6R,7R)-7-[2-(4-Hydroxy-phenyl)-acetylamino]-7-met...)
Show SMILES CO[C@]1(NC(=O)Cc2ccc(O)cc2)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H30N6O7S/c1-37-31(34-35-36-37)46-19-23-18-44-30-32(43-2,33-25(40)17-20-13-15-24(39)16-14-20)29(42)38(30)26(23)28(41)45-27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,27,30,39H,17-19H2,1-2H3,(H,33,40)/t30-,32+/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Serine protease chymase


Bioorg Med Chem Lett 10: 2403-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00489-3
BindingDB Entry DOI: 10.7270/Q23R0S4F
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50093734
PNG
((6R,7R)-7-[2-(4-Hydroxy-phenyl)-acetylamino]-7-met...)
Show SMILES CO[C@]1(NC(=O)Cc2ccc(O)cc2)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1cccc(C)c1
Show InChI InChI=1S/C27H28N6O7S/c1-16-5-4-6-18(11-16)13-39-23(36)22-19(15-41-26-29-30-31-32(26)2)14-40-25-27(38-3,24(37)33(22)25)28-21(35)12-17-7-9-20(34)10-8-17/h4-11,25,34H,12-15H2,1-3H3,(H,28,35)/t25-,27+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Serine protease chymase


Bioorg Med Chem Lett 10: 2403-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00489-3
BindingDB Entry DOI: 10.7270/Q23R0S4F
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50093716
PNG
((6R,7R)-3-(1-Carboxymethyl-1H-tetrazol-5-ylsulfany...)
Show SMILES CO[C@]1(NC(=O)Cc2ccc(O)cc2)[C@H]2OCC(CSc3nnnn3CC(O)=O)=C(N2C1=O)C(=O)OCc1cccc(C)c1
Show InChI InChI=1S/C28H28N6O9S/c1-16-4-3-5-18(10-16)13-42-24(39)23-19(15-44-27-30-31-32-33(27)12-22(37)38)14-43-26-28(41-2,25(40)34(23)26)29-21(36)11-17-6-8-20(35)9-7-17/h3-10,26,35H,11-15H2,1-2H3,(H,29,36)(H,37,38)/t26-,28+/m1/s1
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n/an/a 72n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Serine protease chymase


Bioorg Med Chem Lett 10: 2403-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00489-3
BindingDB Entry DOI: 10.7270/Q23R0S4F
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50093751
PNG
((6R,7R)-7-Methoxy-7-(2-methoxy-benzoylamino)-3-(1-...)
Show SMILES COc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H26N6O9S/c1-32-26(29-30-31-32)43-14-17-13-42-25-27(40-3,28-21(34)18-6-4-5-7-19(18)39-2)24(38)33(25)20(17)23(37)41-12-15-8-10-16(11-9-15)22(35)36/h4-11,25H,12-14H2,1-3H3,(H,28,34)(H,35,36)/t25-,27+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Serine protease chymase


Bioorg Med Chem Lett 10: 2403-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00489-3
BindingDB Entry DOI: 10.7270/Q23R0S4F
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50093727
PNG
((6R,7R)-7-Methoxy-7-(2-methoxy-benzoylamino)-3-(1-...)
Show SMILES COc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H30N6O7S/c1-37-31(34-35-36-37)46-19-22-18-44-30-32(43-3,33-27(39)23-16-10-11-17-24(23)42-2)29(41)38(30)25(22)28(40)45-26(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-17,26,30H,18-19H2,1-3H3,(H,33,39)/t30-,32+/m1/s1
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n/an/a 550n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Serine protease chymase


Bioorg Med Chem Lett 10: 2403-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00489-3
BindingDB Entry DOI: 10.7270/Q23R0S4F
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50093717
PNG
((6R,7R)-7-[2-(4-Hydroxy-phenyl)-acetylamino]-7-met...)
Show SMILES CO[C@]1(NC(=O)Cc2ccc(O)cc2)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccccc1C
Show InChI InChI=1S/C27H28N6O7S/c1-16-6-4-5-7-18(16)13-39-23(36)22-19(15-41-26-29-30-31-32(26)2)14-40-25-27(38-3,24(37)33(22)25)28-21(35)12-17-8-10-20(34)11-9-17/h4-11,25,34H,12-15H2,1-3H3,(H,28,35)/t25-,27+/m1/s1
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n/an/a 430n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 2397-401 (2001)


Article DOI: 10.1016/s0960-894x(00)00488-1
BindingDB Entry DOI: 10.7270/Q27H1HVR
More data for this
Ligand-Target Pair