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Compile Data Set for Download or QSAR

Found 596 hits of ic50 data for polymerid = 1719   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM?mit=repeat
Kd
nM
EC50/IC50
nM?mit=repeat
koff
s-1
kon
M-1s-1
pHTemp
°C
Chymase


(Homo sapiens (Human))
BDBM100314
PNG
(US8501749, 14)
Show SMILES CCCCC(Cn1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2ccncc2c1=O)C(O)=O
Show InChI InChI=1S/C25H28N4O4/c1-4-5-8-17(24(31)32)14-29-23(30)19-12-26-11-10-20(19)28(25(29)33)15-18-13-27(3)21-9-6-7-16(2)22(18)21/h6-7,9-13,17H,4-5,8,14-15H2,1-3H3,(H,31,32)
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n/an/a 11n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)


BindingDB Entry DOI: 10.7270/Q28G8JB2
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208243
PNG
((E)-2-(3,4-difluorostyrylamino)-1-(5-chlorobenzo[b...)
Show SMILES OP(O)(=O)C(C(=O)NC=Cc1ccc(F)c(F)c1)c1csc2ccc(Cl)cc12
Show InChI InChI=1S/C18H13ClF2NO4PS/c19-11-2-4-16-12(8-11)13(9-28-16)17(27(24,25)26)18(23)22-6-5-10-1-3-14(20)15(21)7-10/h1-9,17H,(H,22,23)(H2,24,25,26)
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n/an/a 11n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM337767
PNG
(1-[3-Chloro-4-(2-oxoimidazolidin-1-yl)phenyl]-3-[2...)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc(N4CCNC4=O)c(Cl)c3)c2=O)C(O)=O)cccc1C(F)(F)F
Show InChI InChI=1S/C23H18ClF3N4O5/c1-12-13(3-2-4-16(12)23(25,26)27)10-31-19(32)15(20(33)34)11-30(22(31)36)14-5-6-18(17(24)9-14)29-8-7-28-21(29)35/h2-6,9,11H,7-8,10H2,1H3,(H,28,35)(H,33,34)
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n/an/a 12n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used fo...


US Patent US9751843 (2017)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM337796
PNG
(1-[2-Fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2...)
Show SMILES OC(=O)c1cn(-c2ccc(cc2F)N2CCOC2=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O
Show InChI InChI=1S/C24H17F4N3O6/c25-17-10-12(29-8-9-37-23(29)36)4-6-19(17)30-11-15(21(33)34)20(32)31(22(30)35)18-7-5-13-14(18)2-1-3-16(13)24(26,27)28/h1-4,6,10-11,18H,5,7-9H2,(H,33,34)/t18-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used fo...


US Patent US9751843 (2017)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208232
PNG
(1-(5-chloro-1-methyl-1H-indol-3-yl)-2-(naphthalen-...)
Show SMILES Cn1cc(C(C(=O)Nc2ccc3ccccc3c2)P(O)(O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C21H18ClN2O4P/c1-24-12-18(17-11-15(22)7-9-19(17)24)20(29(26,27)28)21(25)23-16-8-6-13-4-2-3-5-14(13)10-16/h2-12,20H,1H3,(H,23,25)(H2,26,27,28)
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n/an/a 13n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50075114
PNG
(1,1-dimethyl-2-phenylcarboxamidooctanoic anhydride...)
Show SMILES CCCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCCC)NC(=O)c1ccccc1
Show InChI InChI=1S/C34H48N2O5/c1-7-9-13-23-27(35-29(37)25-19-15-11-16-20-25)33(3,4)31(39)41-32(40)34(5,6)28(24-14-10-8-2)36-30(38)26-21-17-12-18-22-26/h11-12,15-22,27-28H,7-10,13-14,23-24H2,1-6H3,(H,35,37)(H,36,38)
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n/an/a 13n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human chymase (h-chymase)


Bioorg Med Chem Lett 9: 413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00012-8
BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM337766
PNG
(1-[3-Chloro-4-(2-oxoimidazolidin-1-yl)phenyl]-3-[2...)
Show SMILES OC(=O)c1cn(-c2ccc(N3CCNC3=O)c(Cl)c2)c(=O)n(Cc2cccc(c2Cl)C(F)(F)F)c1=O
Show InChI InChI=1S/C22H15Cl2F3N4O5/c23-15-8-12(4-5-16(15)29-7-6-28-20(29)35)30-10-13(19(33)34)18(32)31(21(30)36)9-11-2-1-3-14(17(11)24)22(25,26)27/h1-5,8,10H,6-7,9H2,(H,28,35)(H,33,34)
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n/an/a 13n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used fo...


US Patent US9751843 (2017)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM337759
PNG
(1-[3-Chloro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3...)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc(N4CCOC4=O)c(Cl)c3)c2=O)C(O)=O)cccc1C(F)(F)F
Show InChI InChI=1S/C23H17ClF3N3O6/c1-12-13(3-2-4-16(12)23(25,26)27)10-30-19(31)15(20(32)33)11-29(21(30)34)14-5-6-18(17(24)9-14)28-7-8-36-22(28)35/h2-6,9,11H,7-8,10H2,1H3,(H,32,33)
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n/an/a 16n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used fo...


US Patent US9751843 (2017)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208244
PNG
((E)-2-(4-fluorostyrylamino)-1-(5-chloro-1-methyl-1...)
Show SMILES Cn1cc(C(C(=O)NC=Cc2ccc(F)cc2)P(O)(O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C19H17ClFN2O4P/c1-23-11-16(15-10-13(20)4-7-17(15)23)18(28(25,26)27)19(24)22-9-8-12-2-5-14(21)6-3-12/h2-11,18H,1H3,(H,22,24)(H2,25,26,27)
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n/an/a 16n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM337773
PNG
(3-[2-Chloro-3-(trifluoromethyl)benzyl]-1-[3,5-dich...)
Show SMILES OC(=O)c1cn(-c2cc(Cl)c(N3CCNC3=O)c(Cl)c2)c(=O)n(Cc2cccc(c2Cl)C(F)(F)F)c1=O
Show InChI InChI=1S/C22H14Cl3F3N4O5/c23-14-6-11(7-15(24)17(14)30-5-4-29-20(30)36)31-9-12(19(34)35)18(33)32(21(31)37)8-10-2-1-3-13(16(10)25)22(26,27)28/h1-3,6-7,9H,4-5,8H2,(H,29,36)(H,34,35)
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n/an/a 16n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used fo...


US Patent US9751843 (2017)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM337793
PNG
(2,4-Dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-...)
Show SMILES OC(=O)c1cn(-c2ccc(cc2)N2CCOC2=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O
Show InChI InChI=1S/C24H18F3N3O6/c25-24(26,27)18-3-1-2-16-15(18)8-9-19(16)30-20(31)17(21(32)33)12-29(22(30)34)14-6-4-13(5-7-14)28-10-11-36-23(28)35/h1-7,12,19H,8-11H2,(H,32,33)/t19-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used fo...


US Patent US9751843 (2017)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM100316
PNG
(US8501749, 16)
Show SMILES CC[C@@H](CC(O)=O)n1c(=O)n(Cc2nsc3cc(C)cc(C)c23)c2ccncc2c1=O
Show InChI InChI=1S/C22H22N4O4S/c1-4-14(9-19(27)28)26-21(29)15-10-23-6-5-17(15)25(22(26)30)11-16-20-13(3)7-12(2)8-18(20)31-24-16/h5-8,10,14H,4,9,11H2,1-3H3,(H,27,28)/t14-/m0/s1
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n/an/a 17n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)


BindingDB Entry DOI: 10.7270/Q28G8JB2
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208222
PNG
((E)-2-(3-chloro-5-fluorostyrylamino)-1-(5-chlorobe...)
Show SMILES CP(O)(=O)C(C(=O)NC=Cc1cc(F)cc(Cl)c1)c1csc2ccc(Cl)cc12
Show InChI InChI=1S/C19H15Cl2FNO3PS/c1-27(25,26)18(16-10-28-17-3-2-12(20)9-15(16)17)19(24)23-5-4-11-6-13(21)8-14(22)7-11/h2-10,18H,1H3,(H,23,24)(H,25,26)
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n/an/a 17n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM337758
PNG
(1-[3-Chloro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3...)
Show SMILES OC(=O)c1cn(-c2ccc(N3CCOC3=O)c(Cl)c2)c(=O)n(Cc2cccc(c2Cl)C(F)(F)F)c1=O
Show InChI InChI=1S/C22H14Cl2F3N3O6/c23-15-8-12(4-5-16(15)28-6-7-36-21(28)35)29-10-13(19(32)33)18(31)30(20(29)34)9-11-2-1-3-14(17(11)24)22(25,26)27/h1-5,8,10H,6-7,9H2,(H,32,33)
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n/an/a 17n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used fo...


US Patent US9751843 (2017)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM337788
PNG
(1-(3,4-Dimethoxyphenyl)-2,4-dioxo-3-[4-(trifluorom...)
Show SMILES COc1ccc(cc1OC)-n1cc(C(O)=O)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O
Show InChI InChI=1S/C23H19F3N2O6/c1-33-18-9-6-12(10-19(18)34-2)27-11-15(21(30)31)20(29)28(22(27)32)17-8-7-13-14(17)4-3-5-16(13)23(24,25)26/h3-6,9-11,17H,7-8H2,1-2H3,(H,30,31)
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n/an/a 18n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used fo...


US Patent US9751843 (2017)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50210107
PNG
(7-chloro-3-(4-chlorophenylsulfonyl)quinazoline-2,4...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)n1c(=O)[nH]c2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C14H8Cl2N2O4S/c15-8-1-4-10(5-2-8)23(21,22)18-13(19)11-6-3-9(16)7-12(11)17-14(18)20/h1-7H,(H,17,20)
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n/an/a 18n/an/an/an/an/an/a



Daiichi Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant chymase


Bioorg Med Chem Lett 17: 3431-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.038
BindingDB Entry DOI: 10.7270/Q2G160H9
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50058973
PNG
(3-(3,4-Dichloro-benzenesulfonyl)-1-phenyl-imidazol...)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C(=O)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C15H10Cl2N2O4S/c16-12-7-6-11(8-13(12)17)24(22,23)19-14(20)9-18(15(19)21)10-4-2-1-3-5-10/h1-8H,9H2
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n/an/a 18n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against human heart chymase in vitro.


J Med Chem 40: 2156-63 (1997)


Article DOI: 10.1021/jm960793t
BindingDB Entry DOI: 10.7270/Q2QJ7GDG
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM337755
PNG
(3-[2-Chloro-3-(trifluoromethyl)benzyl]-2,4-dioxo-1...)
Show SMILES OC(=O)c1cn(-c2ccc(cc2)N2CCOC2=O)c(=O)n(Cc2cccc(c2Cl)C(F)(F)F)c1=O
Show InChI InChI=1S/C22H15ClF3N3O6/c23-17-12(2-1-3-16(17)22(24,25)26)10-29-18(30)15(19(31)32)11-28(20(29)33)14-6-4-13(5-7-14)27-8-9-35-21(27)34/h1-7,11H,8-10H2,(H,31,32)
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n/an/a 18n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used fo...


US Patent US9751843 (2017)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM337770
PNG
(3-[2,3-Bis(trifluoromethyl)benzyl]-2,4-dioxo-1-[4-...)
Show SMILES OC(=O)c1cn(-c2ccc(cc2)N2CCOC2=O)c(=O)n(Cc2cccc(c2C(F)(F)F)C(F)(F)F)c1=O
Show InChI InChI=1S/C23H15F6N3O6/c24-22(25,26)16-3-1-2-12(17(16)23(27,28)29)10-32-18(33)15(19(34)35)11-31(20(32)36)14-6-4-13(5-7-14)30-8-9-38-21(30)37/h1-7,11H,8-10H2,(H,34,35)
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n/an/a 19n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used fo...


US Patent US9751843 (2017)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM100749
PNG
(US8507714, 214)
Show SMILES COC(=O)C[C@H]1N(C(=O)[C@@H](Cc2cc(F)ccc2OC)CNC1=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClFN2O7S/c1-32-19-8-5-16(24)10-13(19)9-14-12-25-21(28)18(11-20(27)33-2)26(22(14)29)34(30,31)17-6-3-15(23)4-7-17/h3-8,10,14,18H,9,11-12H2,1-2H3,(H,25,28)/t14-,18+/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-...


US Patent US8507714 (2013)


BindingDB Entry DOI: 10.7270/Q2H130N8
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM100743
PNG
(US8507714, 67)
Show SMILES COc1cc(Cl)c(F)cc1CC1CNC(=O)CN(C1=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H17Cl2FN2O5S/c1-29-17-8-15(21)16(22)7-11(17)6-12-9-23-18(25)10-24(19(12)26)30(27,28)14-4-2-13(20)3-5-14/h2-5,7-8,12H,6,9-10H2,1H3,(H,23,25)
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n/an/a 19n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-...


US Patent US8507714 (2013)


BindingDB Entry DOI: 10.7270/Q2H130N8
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))
BDBM50075106
PNG
(1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...)
Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)
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n/an/a 20n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


Bioorg Med Chem Lett 9: 413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00012-8
BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50058984
PNG
(3-(3,4-Dichloro-benzenesulfonyl)-1-(3,4-dimethyl-p...)
Show SMILES Cc1ccc(cc1C)N1CC(=O)N(C1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H14Cl2N2O4S/c1-10-3-4-12(7-11(10)2)20-9-16(22)21(17(20)23)26(24,25)13-5-6-14(18)15(19)8-13/h3-8H,9H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against human heart chymase in vitro.


J Med Chem 40: 2156-63 (1997)


Article DOI: 10.1021/jm960793t
BindingDB Entry DOI: 10.7270/Q2QJ7GDG
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM100328
PNG
(US8501749, 28)
Show SMILES CC[C@H](CC(O)=O)n1c(=O)n(Cc2nsc3cc(C)cc(C)c23)c2cnccc2c1=O
Show InChI InChI=1S/C22H22N4O4S/c1-4-14(9-19(27)28)26-21(29)15-5-6-23-10-17(15)25(22(26)30)11-16-20-13(3)7-12(2)8-18(20)31-24-16/h5-8,10,14H,4,9,11H2,1-3H3,(H,27,28)/t14-/m1/s1
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n/an/a 20n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)


BindingDB Entry DOI: 10.7270/Q28G8JB2
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM134253
PNG
(US8846660, 103 | US8846660, 12)
Show SMILES CCC[C@@H](NC(=O)N1C\C(NCC(Cc2cc(Cl)ccc2OC)C1=O)=N\OCC)c1ccc(C(O)=O)c(N)c1
Show InChI InChI=1S/C27H34ClN5O6/c1-4-6-22(16-7-9-20(26(35)36)21(29)13-16)31-27(37)33-15-24(32-39-5-2)30-14-18(25(33)34)11-17-12-19(28)8-10-23(17)38-3/h7-10,12-13,18,22H,4-6,11,14-15,29H2,1-3H3,(H,30,32)(H,31,37)(H,35,36)/t18?,22-/m1/s1
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n/an/a 20n/an/an/an/a7.525



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM134272
PNG
(US8846660, 58)
Show SMILES CC[C@@H](NC(=O)N1C\C(NCC(Cc2cc(Cl)ccc2OC)C1=O)=N\Oc1ccccc1)C(=O)Nc1nnn[nH]1
Show InChI InChI=1S/C25H28ClN9O5/c1-3-19(22(36)29-24-30-33-34-31-24)28-25(38)35-14-21(32-40-18-7-5-4-6-8-18)27-13-16(23(35)37)11-15-12-17(26)9-10-20(15)39-2/h4-10,12,16,19H,3,11,13-14H2,1-2H3,(H,27,32)(H,28,38)(H2,29,30,31,33,34,36)/t16?,19-/m1/s1
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n/an/a 20n/an/an/an/a7.525



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM134260
PNG
(US8846660, 27)
Show SMILES COc1ccc(Cl)cc1CC1CN\C(CN(C(=O)N[C@H](C)c2ccc(cc2)C(O)=O)C1=O)=N/Oc1cc(F)cc(F)c1
Show InChI InChI=1S/C29H27ClF2N4O6/c1-16(17-3-5-18(6-4-17)28(38)39)34-29(40)36-15-26(35-42-24-12-22(31)11-23(32)13-24)33-14-20(27(36)37)9-19-10-21(30)7-8-25(19)41-2/h3-8,10-13,16,20H,9,14-15H2,1-2H3,(H,33,35)(H,34,40)(H,38,39)/t16-,20?/m1/s1
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n/an/a 20n/an/an/an/a7.525



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM134268
PNG
(US8846660, 42)
Show SMILES COc1ccc(Cl)cc1CC1CN\C(CN(C(=O)N[C@H](C)c2ccc(CC(O)=O)cc2)C1=O)=N/Oc1ccccn1
Show InChI InChI=1S/C29H30ClN5O6/c1-18(20-8-6-19(7-9-20)13-27(36)37)33-29(39)35-17-25(34-41-26-5-3-4-12-31-26)32-16-22(28(35)38)14-21-15-23(30)10-11-24(21)40-2/h3-12,15,18,22H,13-14,16-17H2,1-2H3,(H,32,34)(H,33,39)(H,36,37)/t18-,22?/m1/s1
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n/an/a 20n/an/an/an/a7.525



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM134269
PNG
(US8846660, 44)
Show SMILES CC[C@@H](NC(=O)N1C\C(NCC(Cc2cc(Cl)ccc2OC)C1=O)=N\Oc1cc(F)cc(F)c1)c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C30H29ClF2N4O7/c1-3-24(16-4-6-23(29(40)41)25(38)10-16)35-30(42)37-15-27(36-44-22-12-20(32)11-21(33)13-22)34-14-18(28(37)39)8-17-9-19(31)5-7-26(17)43-2/h4-7,9-13,18,24,38H,3,8,14-15H2,1-2H3,(H,34,36)(H,35,42)(H,40,41)/t18?,24-/m1/s1
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n/an/a 20n/an/an/an/a7.525



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM134256
PNG
(US8846660, 18)
Show SMILES CCC[C@@H](NC(=O)N1C\C(NCC(Cc2cc(Cl)ccc2OC)C1=O)=N\OCCO)c1ccc(C(O)=O)c(N)c1
Show InChI InChI=1S/C27H34ClN5O7/c1-3-4-22(16-5-7-20(26(36)37)21(29)13-16)31-27(38)33-15-24(32-40-10-9-34)30-14-18(25(33)35)11-17-12-19(28)6-8-23(17)39-2/h5-8,12-13,18,22,34H,3-4,9-11,14-15,29H2,1-2H3,(H,30,32)(H,31,38)(H,36,37)/t18?,22-/m1/s1
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n/an/a 20n/an/an/an/a7.525



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM337690
PNG
(3-[2-Methyl-3-(trifluoromethyl)benzyl]-2,4-dioxo-1...)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc(cc3)N3CCOC3=O)c2=O)C(O)=O)cccc1C(F)(F)F
Show InChI InChI=1S/C23H18F3N3O6/c1-13-14(3-2-4-18(13)23(24,25)26)11-29-19(30)17(20(31)32)12-28(21(29)33)16-7-5-15(6-8-16)27-9-10-35-22(27)34/h2-8,12H,9-11H2,1H3,(H,31,32)
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n/an/a 21n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used fo...


US Patent US9751843 (2017)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208229
PNG
((E)-2-(3,4-difluorostyrylamino)-1-(5-chloro-1-meth...)
Show SMILES Cn1cc(C(C(=O)NC=Cc2ccc(F)c(F)c2)P(C)(O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H18ClF2N2O3P/c1-25-11-15(14-10-13(21)4-6-18(14)25)19(29(2,27)28)20(26)24-8-7-12-3-5-16(22)17(23)9-12/h3-11,19H,1-2H3,(H,24,26)(H,27,28)
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n/an/a 21n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM337720
PNG
(3-[2-Methyl-3-(trifluoromethyl)benzyl]-2,4-dioxo-1...)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc(cc3)-n3ccnn3)c2=O)C(O)=O)cccc1C(F)(F)F
Show InChI InChI=1S/C22H16F3N5O4/c1-13-14(3-2-4-18(13)22(23,24)25)11-29-19(31)17(20(32)33)12-28(21(29)34)15-5-7-16(8-6-15)30-10-9-26-27-30/h2-10,12H,11H2,1H3,(H,32,33)
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n/an/a 21n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used fo...


US Patent US9751843 (2017)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM337802
PNG
(Ethyl 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)ph...)
Show SMILES CCOC(=O)c1cn(-c2ccc(cc2)N2CCOC2=O)c(=O)n(C2CCCc3c2cccc3C(F)(F)F)c1=O
Show InChI InChI=1S/C27H24F3N3O6/c1-2-38-24(35)20-15-32(17-11-9-16(10-12-17)31-13-14-39-26(31)37)25(36)33(23(20)34)22-8-4-5-18-19(22)6-3-7-21(18)27(28,29)30/h3,6-7,9-12,15,22H,2,4-5,8,13-14H2,1H3
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n/an/a 22n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used fo...


US Patent US9751843 (2017)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50058990
PNG
(3-(3,4-Dimethoxy-benzenesulfonyl)-1-(3,4-dimethyl-...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1C(=O)CN(C1=O)c1ccc(C)c(C)c1
Show InChI InChI=1S/C19H20N2O6S/c1-12-5-6-14(9-13(12)2)20-11-18(22)21(19(20)23)28(24,25)15-7-8-16(26-3)17(10-15)27-4/h5-10H,11H2,1-4H3
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n/an/a 22n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against human heart chymase in vitro.


J Med Chem 40: 2156-63 (1997)


Article DOI: 10.1021/jm960793t
BindingDB Entry DOI: 10.7270/Q2QJ7GDG
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50349191
PNG
(CHEMBL1807642)
Show SMILES Cc1cccc2scc(Cn3c(SCCCC(O)=O)nc4ccccc34)c12
Show InChI InChI=1S/C21H20N2O2S2/c1-14-6-4-9-18-20(14)15(13-27-18)12-23-17-8-3-2-7-16(17)22-21(23)26-11-5-10-19(24)25/h2-4,6-9,13H,5,10-12H2,1H3,(H,24,25)
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n/an/a 22n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human chymase after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chymase


(Homo sapiens (Human))
BDBM50210098
PNG
(6-(4,5-dichloro-2-methoxybenzyl)-4-(4-chlorophenyl...)
Show SMILES COc1cc(Cl)c(Cl)cc1CC1CNC(=O)CN(C1=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H17Cl3N2O5S/c1-29-17-8-16(22)15(21)7-11(17)6-12-9-23-18(25)10-24(19(12)26)30(27,28)14-4-2-13(20)3-5-14/h2-5,7-8,12H,6,9-10H2,1H3,(H,23,25)
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n/an/a 23n/an/an/an/an/an/a



Daiichi Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant chymase


Bioorg Med Chem Lett 17: 3431-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.038
BindingDB Entry DOI: 10.7270/Q2G160H9
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50058996
PNG
(3-(4-Chloro-benzenesulfonyl)-1-(3,4-dichloro-pheny...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(=O)CN(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H9Cl3N2O4S/c16-9-1-4-11(5-2-9)25(23,24)20-14(21)8-19(15(20)22)10-3-6-12(17)13(18)7-10/h1-7H,8H2
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n/an/a 23n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against human heart chymase in vitro.


J Med Chem 40: 2156-63 (1997)


Article DOI: 10.1021/jm960793t
BindingDB Entry DOI: 10.7270/Q2QJ7GDG
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM337789
PNG
(3-[2,3-Bis(trifluoromethyl)benzyl]-1-(3,4-dimethox...)
Show SMILES COc1ccc(cc1OC)-n1cc(C(O)=O)c(=O)n(Cc2cccc(c2C(F)(F)F)C(F)(F)F)c1=O
Show InChI InChI=1S/C22H16F6N2O6/c1-35-15-7-6-12(8-16(15)36-2)29-10-13(19(32)33)18(31)30(20(29)34)9-11-4-3-5-14(21(23,24)25)17(11)22(26,27)28/h3-8,10H,9H2,1-2H3,(H,32,33)
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US Patent
n/an/a 24n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used fo...


US Patent US9751843 (2017)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM100752
PNG
(US8507714, 269)
Show SMILES COC(=O)COc1ccc(Cl)cc1CC1CNC(=O)CN(C1=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H20Cl2N2O7S/c1-31-20(27)12-32-18-7-4-16(23)9-13(18)8-14-10-24-19(26)11-25(21(14)28)33(29,30)17-5-2-15(22)3-6-17/h2-7,9,14H,8,10-12H2,1H3,(H,24,26)
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n/an/a 24n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-...


US Patent US8507714 (2013)


BindingDB Entry DOI: 10.7270/Q2H130N8
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))
BDBM337683
PNG
(1-[3-Fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]-3-[2...)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc(N4CCNC4=O)c(F)c3)c2=O)C(O)=O)cccc1C(F)(F)F
Show InChI InChI=1S/C23H18F4N4O5/c1-12-13(3-2-4-16(12)23(25,26)27)10-31-19(32)15(20(33)34)11-30(22(31)36)14-5-6-18(17(24)9-14)29-8-7-28-21(29)35/h2-6,9,11H,7-8,10H2,1H3,(H,28,35)(H,33,34)
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n/an/a 24n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used fo...


US Patent US9751843 (2017)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50349172
PNG
(CHEMBL1807640)
Show SMILES Cc1c(C)c2cc(Cl)cc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c2n1C
Show InChI InChI=1S/C22H22ClN3O3/c1-13-14(2)24(3)21-15(10-16(23)11-17(13)21)12-26-19-7-5-4-6-18(19)25(22(26)29)9-8-20(27)28/h4-7,10-11H,8-9,12H2,1-3H3,(H,27,28)
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n/an/a 25n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human chymase after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50210116
PNG
(6-(5-fluoro-2-methoxybenzyl)-4-(4-chlorophenylsulf...)
Show SMILES COc1ccc(F)cc1CC1CNC(=O)CN(C1=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H18ClFN2O5S/c1-28-17-7-4-15(21)9-12(17)8-13-10-22-18(24)11-23(19(13)25)29(26,27)16-5-2-14(20)3-6-16/h2-7,9,13H,8,10-11H2,1H3,(H,22,24)
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n/an/a 26n/an/an/an/an/an/a



Daiichi Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant chymase


Bioorg Med Chem Lett 17: 3431-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.038
BindingDB Entry DOI: 10.7270/Q2G160H9
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))
BDBM50326056
PNG
((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Show SMILES CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Chymase


Antimicrob Agents Chemother 54: 305-11 (2009)


Article DOI: 10.1128/AAC.00677-09
BindingDB Entry DOI: 10.7270/Q2JW8F39
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50210120
PNG
((S)-6-(5-chloro-2-methoxybenzyl)-4-(4-chlorophenyl...)
Show SMILES COc1ccc(Cl)cc1C[C@H]1CNC(=O)CN(C1=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H18Cl2N2O5S/c1-28-17-7-4-15(21)9-12(17)8-13-10-22-18(24)11-23(19(13)25)29(26,27)16-5-2-14(20)3-6-16/h2-7,9,13H,8,10-11H2,1H3,(H,22,24)/t13-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Daiichi Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant chymase


Bioorg Med Chem Lett 17: 3431-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.038
BindingDB Entry DOI: 10.7270/Q2G160H9
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))
BDBM100332
PNG
(US8501749, 32)
Show SMILES CC[C@@H](CC(O)=O)n1c(=O)n(Cc2nsc3cc(C)cc(C)c23)c2cnccc2c1=O
Show InChI InChI=1S/C22H22N4O4S/c1-4-14(9-19(27)28)26-21(29)15-5-6-23-10-17(15)25(22(26)30)11-16-20-13(3)7-12(2)8-18(20)31-24-16/h5-8,10,14H,4,9,11H2,1-3H3,(H,27,28)/t14-/m0/s1
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n/an/a 27n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)


BindingDB Entry DOI: 10.7270/Q28G8JB2
More data for this
Ligand-Target Pair
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