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11 similar compounds to monomer 50093722

Compile data set for download or QSAR
Wt: 624.6
BDBM50093750
Wt: 610.5
BDBM50093751
Wt: 642.6
BDBM50093719
Wt: 642.6
BDBM50093721
Wt: 579.6
BDBM50093723
Wt: 642.6
BDBM50093727
Wt: 624.6
BDBM50093745
Wt: 638.6
BDBM50093746
Wt: 652.6
BDBM50093747
Wt: 672.6
BDBM50093748
Wt: 638.6
BDBM50093749

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50093750,50093751,50093719,50093721,50093723,50093727,50093745,50093746,50093747,50093748,50093749   
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))
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))
BDBM50093745
PNG
((6R,7R)-7-(2-Ethoxy-benzoylamino)-7-methoxy-3-(1-m...)
Show SMILES CCOc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H28N6O9S/c1-4-41-20-8-6-5-7-19(20)22(35)29-28(40-3)25(39)34-21(24(38)42-13-16-9-11-17(12-10-16)23(36)37)18(14-43-26(28)34)15-44-27-30-31-32-33(27)2/h5-12,26H,4,13-15H2,1-3H3,(H,29,35)(H,36,37)/t26-,28+/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against human Serine protease chymase


Bioorg Med Chem Lett 11: 1695-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00265-7
BindingDB Entry DOI: 10.7270/Q2Q81CB9
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50093723
PNG
((6R,7R)-7-[2-(4-Hydroxy-phenyl)-acetylamino]-7-met...)
Show SMILES CO[C@]1(NC(=O)Cc2ccc(O)cc2)[C@H]2OCC(CSc3nncn3C)=C(N2C1=O)C(=O)OCc1cccc(C)c1
Show InChI InChI=1S/C28H29N5O7S/c1-17-5-4-6-19(11-17)13-39-24(36)23-20(15-41-27-31-29-16-32(27)2)14-40-26-28(38-3,25(37)33(23)26)30-22(35)12-18-7-9-21(34)10-8-18/h4-11,16,26,34H,12-15H2,1-3H3,(H,30,35)/t26-,28+/m1/s1
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n/an/a 4.00E+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))
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
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50093745
PNG
((6R,7R)-7-(2-Ethoxy-benzoylamino)-7-methoxy-3-(1-m...)
Show SMILES CCOc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H28N6O9S/c1-4-41-20-8-6-5-7-19(20)22(35)29-28(40-3)25(39)34-21(24(38)42-13-16-9-11-17(12-10-16)23(36)37)18(14-43-26(28)34)15-44-27-30-31-32-33(27)2/h5-12,26H,4,13-15H2,1-3H3,(H,29,35)(H,36,37)/t26-,28+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was measured against alpha-chymotrypsin


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))
BDBM50093745
PNG
((6R,7R)-7-(2-Ethoxy-benzoylamino)-7-methoxy-3-(1-m...)
Show SMILES CCOc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H28N6O9S/c1-4-41-20-8-6-5-7-19(20)22(35)29-28(40-3)25(39)34-21(24(38)42-13-16-9-11-17(12-10-16)23(36)37)18(14-43-26(28)34)15-44-27-30-31-32-33(27)2/h5-12,26H,4,13-15H2,1-3H3,(H,29,35)(H,36,37)/t26-,28+/m1/s1
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n/an/a 27n/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))
BDBM50093746
PNG
((6R,7R)-7-(2-Isopropoxy-benzoylamino)-7-methoxy-3-...)
Show SMILES CO[C@]1(NC(=O)c2ccccc2OC(C)C)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H30N6O9S/c1-16(2)44-21-8-6-5-7-20(21)23(36)30-29(41-4)26(40)35-22(25(39)42-13-17-9-11-18(12-10-17)24(37)38)19(14-43-27(29)35)15-45-28-31-32-33-34(28)3/h5-12,16,27H,13-15H2,1-4H3,(H,30,36)(H,37,38)/t27-,29+/m1/s1
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n/an/a 37n/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))
BDBM50093747
PNG
((6R,7R)-7-(2-sec-Butoxy-benzoylamino)-7-methoxy-3-...)
Show SMILES CCC(C)Oc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H32N6O9S/c1-5-17(2)45-22-9-7-6-8-21(22)24(37)31-30(42-4)27(41)36-23(26(40)43-14-18-10-12-19(13-11-18)25(38)39)20(15-44-28(30)36)16-46-29-32-33-34-35(29)3/h6-13,17,28H,5,14-16H2,1-4H3,(H,31,37)(H,38,39)/t17?,28-,30+/m1/s1
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n/an/a 26n/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))
BDBM50093748
PNG
((6R,7R)-7-Methoxy-3-(1-methyl-1H-tetrazol-5-ylsulf...)
Show SMILES CO[C@]1(NC(=O)c2ccccc2Oc2ccccc2)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C32H28N6O9S/c1-37-31(34-35-36-37)48-18-21-17-46-30-32(44-2,33-26(39)23-10-6-7-11-24(23)47-22-8-4-3-5-9-22)29(43)38(30)25(21)28(42)45-16-19-12-14-20(15-13-19)27(40)41/h3-15,30H,16-18H2,1-2H3,(H,33,39)(H,40,41)/t30-,32+/m1/s1
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n/an/a 57n/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
Trypsin-1


(Homo sapiens (Human))
BDBM50093745
PNG
((6R,7R)-7-(2-Ethoxy-benzoylamino)-7-methoxy-3-(1-m...)
Show SMILES CCOc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H28N6O9S/c1-4-41-20-8-6-5-7-19(20)22(35)29-28(40-3)25(39)34-21(24(38)42-13-16-9-11-17(12-10-16)23(36)37)18(14-43-26(28)34)15-44-27-30-31-32-33(27)2/h5-12,26H,4,13-15H2,1-3H3,(H,29,35)(H,36,37)/t26-,28+/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was measured against trypsin


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))
BDBM50093749
PNG
((6R,7R)-7-Methoxy-3-(1-methyl-1H-tetrazol-5-ylsulf...)
Show SMILES CCCOc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H30N6O9S/c1-4-13-42-21-8-6-5-7-20(21)23(36)30-29(41-3)26(40)35-22(25(39)43-14-17-9-11-18(12-10-17)24(37)38)19(15-44-27(29)35)16-45-28-31-32-33-34(28)2/h5-12,27H,4,13-16H2,1-3H3,(H,30,36)(H,37,38)/t27-,29+/m1/s1
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n/an/a 24n/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))
BDBM50093750
PNG
((6R,7R)-3-(1-Carboxymethyl-1H-tetrazol-5-ylsulfany...)
Show SMILES COc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3CC(O)=O)=C(N2C1=O)C(=O)OCc1cccc(C)c1
Show InChI InChI=1S/C28H28N6O9S/c1-16-7-6-8-17(11-16)13-42-24(38)22-18(15-44-27-30-31-32-33(27)12-21(35)36)14-43-26-28(41-3,25(39)34(22)26)29-23(37)19-9-4-5-10-20(19)40-2/h4-11,26H,12-15H2,1-3H3,(H,29,37)(H,35,36)/t26-,28+/m1/s1
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n/an/a 6n/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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50093745
PNG
((6R,7R)-7-(2-Ethoxy-benzoylamino)-7-methoxy-3-(1-m...)
Show SMILES CCOc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H28N6O9S/c1-4-41-20-8-6-5-7-19(20)22(35)29-28(40-3)25(39)34-21(24(38)42-13-16-9-11-17(12-10-16)23(36)37)18(14-43-26(28)34)15-44-27-30-31-32-33(27)2/h5-12,26H,4,13-15H2,1-3H3,(H,29,35)(H,36,37)/t26-,28+/m1/s1
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n/an/a 9.50E+3n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was measured against elastase


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
Plasmin


(Rattus norvegicus)
BDBM50093745
PNG
((6R,7R)-7-(2-Ethoxy-benzoylamino)-7-methoxy-3-(1-m...)
Show SMILES CCOc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H28N6O9S/c1-4-41-20-8-6-5-7-19(20)22(35)29-28(40-3)25(39)34-21(24(38)42-13-16-9-11-17(12-10-16)23(36)37)18(14-43-26(28)34)15-44-27-30-31-32-33(27)2/h5-12,26H,4,13-15H2,1-3H3,(H,29,35)(H,36,37)/t26-,28+/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 concentration of the compound was measured against plasmin


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
Prothrombin


(Homo sapiens (Human))
BDBM50093745
PNG
((6R,7R)-7-(2-Ethoxy-benzoylamino)-7-methoxy-3-(1-m...)
Show SMILES CCOc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H28N6O9S/c1-4-41-20-8-6-5-7-19(20)22(35)29-28(40-3)25(39)34-21(24(38)42-13-16-9-11-17(12-10-16)23(36)37)18(14-43-26(28)34)15-44-27-30-31-32-33(27)2/h5-12,26H,4,13-15H2,1-3H3,(H,29,35)(H,36,37)/t26-,28+/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was measured against thrombin


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
Cathepsin G


(Homo sapiens (Human))
BDBM50093745
PNG
((6R,7R)-7-(2-Ethoxy-benzoylamino)-7-methoxy-3-(1-m...)
Show SMILES CCOc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H28N6O9S/c1-4-41-20-8-6-5-7-19(20)22(35)29-28(40-3)25(39)34-21(24(38)42-13-16-9-11-17(12-10-16)23(36)37)18(14-43-26(28)34)15-44-27-30-31-32-33(27)2/h5-12,26H,4,13-15H2,1-3H3,(H,29,35)(H,36,37)/t26-,28+/m1/s1
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n/an/a 280n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was measured against cathepsin G


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))
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