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Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'nakatsuka' and Initial = 't'   
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
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50226792
PNG
(4-(3-(1-benzhydryl-5-chloro-2-(2-((3,4-dichlorophe...)
Show SMILES OC(=O)c1ccc(CCCc2c(CCNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C40H35Cl3N2O4S/c41-32-19-21-37-34(25-32)33(13-7-8-27-14-17-31(18-15-27)40(46)47)38(22-23-44-50(48,49)26-28-16-20-35(42)36(43)24-28)45(37)39(29-9-3-1-4-10-29)30-11-5-2-6-12-30/h1-6,9-12,14-21,24-25,39,44H,7-8,13,22-23,26H2,(H,46,47)
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n/an/a 0.540n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50056707
PNG
(CHEMBL3326971)
Show SMILES CCCOc1ccc(cc1)-n1cc(CCc2ccccc2)c2cc(CCC(O)=O)ccc12
Show InChI InChI=1S/C28H29NO3/c1-2-18-32-25-14-12-24(13-15-25)29-20-23(11-8-21-6-4-3-5-7-21)26-19-22(9-16-27(26)29)10-17-28(30)31/h3-7,9,12-16,19-20H,2,8,10-11,17-18H2,1H3,(H,30,31)
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n/an/a 7n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50056741
PNG
(CHEMBL3327088)
Show SMILES CC(C)Oc1ccc(cc1)-n1cc(CCc2ccccc2)c2cc(CCC(O)=O)ccc12
Show InChI InChI=1S/C28H29NO3/c1-20(2)32-25-14-12-24(13-15-25)29-19-23(11-8-21-6-4-3-5-7-21)26-18-22(9-16-27(26)29)10-17-28(30)31/h3-7,9,12-16,18-20H,8,10-11,17H2,1-2H3,(H,30,31)
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n/an/a 7n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50056712
PNG
(CHEMBL3326966)
Show SMILES OC(=O)CCc1ccc2n(cc(CCc3ccccc3)c2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C25H23NO3/c27-22-12-10-21(11-13-22)26-17-20(9-6-18-4-2-1-3-5-18)23-16-19(7-14-24(23)26)8-15-25(28)29/h1-5,7,10-14,16-17,27H,6,8-9,15H2,(H,28,29)
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n/an/a 11n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50056740
PNG
(CHEMBL3327089)
Show SMILES NC(CO)(CO)CO.OCCOc1ccc(cc1)-n1cc(CCc2ccccc2)c2cc(CCC(O)=O)ccc12
Show InChI InChI=1S/C27H27NO4/c29-16-17-32-24-12-10-23(11-13-24)28-19-22(9-6-20-4-2-1-3-5-20)25-18-21(7-14-26(25)28)8-15-27(30)31/h1-5,7,10-14,18-19,29H,6,8-9,15-17H2,(H,30,31)
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n/an/a 14n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50056708
PNG
(CHEMBL3326970)
Show SMILES NC(CO)(CO)CO.CCOc1ccc(cc1)-n1cc(CCc2ccccc2)c2cc(CCC(O)=O)ccc12
Show InChI InChI=1S/C27H27NO3/c1-2-31-24-14-12-23(13-15-24)28-19-22(11-8-20-6-4-3-5-7-20)25-18-21(9-16-26(25)28)10-17-27(29)30/h3-7,9,12-16,18-19H,2,8,10-11,17H2,1H3,(H,29,30)
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n/an/a 15n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
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
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50056737
PNG
(CHEMBL3327092)
Show SMILES NC(CO)(CO)CO.OC(=O)CCc1ccc2n(cc(CCc3ccccc3)c2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C31H27NO3/c33-31(34)20-13-24-12-19-30-29(21-24)25(14-11-23-7-3-1-4-8-23)22-32(30)26-15-17-28(18-16-26)35-27-9-5-2-6-10-27/h1-10,12,15-19,21-22H,11,13-14,20H2,(H,33,34)
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n/an/a 20n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
More data for this
Ligand-Target Pair
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
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50056709
PNG
(CHEMBL3326969)
Show SMILES NC(CO)(CO)CO.COc1ccc(cc1)-n1cc(CCc2ccccc2)c2cc(CCC(O)=O)ccc12
Show InChI InChI=1S/C26H25NO3/c1-30-23-13-11-22(12-14-23)27-18-21(10-7-19-5-3-2-4-6-19)24-17-20(8-15-25(24)27)9-16-26(28)29/h2-6,8,11-15,17-18H,7,9-10,16H2,1H3,(H,28,29)
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n/an/a 26n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
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))
BDBM50210094
PNG
(3-((1-(4-chlorophenylsulfonyl)-3,7-dioxo-1,4-diaze...)
Show SMILES COc1ccc(cc1CC1CNC(=O)CN(C1=O)S(=O)(=O)c1ccc(Cl)cc1)C#N
Show InChI InChI=1S/C20H18ClN3O5S/c1-29-18-7-2-13(10-22)8-14(18)9-15-11-23-19(25)12-24(20(15)26)30(27,28)17-5-3-16(21)4-6-17/h2-8,15H,9,11-12H2,1H3,(H,23,25)
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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))
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
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50056739
PNG
(CHEMBL3327090)
Show SMILES NC(CO)(CO)CO.OC(=O)CCc1ccc2n(cc(CCc3ccccc3)c2c1)-c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C26H23F2NO3/c27-26(28)32-22-12-10-21(11-13-22)29-17-20(9-6-18-4-2-1-3-5-18)23-16-19(7-14-24(23)29)8-15-25(30)31/h1-5,7,10-14,16-17,26H,6,8-9,15H2,(H,30,31)
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n/an/a 28n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM100740
PNG
(CHEMBL391608 | US8507714, 29)
Show SMILES COc1ccc(Cl)cc1CC1CNC(=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)
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n/an/a 34n/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))
BDBM50210743
PNG
(6-(4-chloro-2-methoxybenzyl)-4-(4-chlorophenylsulf...)
Show SMILES COc1cc(Cl)ccc1CC1CNC(=O)CN(C1=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H18Cl2N2O5S/c1-28-17-9-15(21)3-2-12(17)8-13-10-22-18(24)11-23(19(13)25)29(26,27)16-6-4-14(20)5-7-16/h2-7,9,13H,8,10-11H2,1H3,(H,22,24)
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n/an/a 34n/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: 3435-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.085
BindingDB Entry DOI: 10.7270/Q2MK6CKH
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50056732
PNG
(CHEMBL3327094)
Show SMILES NC(CO)(CO)CO.OC(=O)CCc1ccc2n(cc(CCc3ccccc3)c2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClNO2/c26-21-10-12-22(13-11-21)27-17-20(9-6-18-4-2-1-3-5-18)23-16-19(7-14-24(23)27)8-15-25(28)29/h1-5,7,10-14,16-17H,6,8-9,15H2,(H,28,29)
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n/an/a 36n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50210099
PNG
(CHEMBL246964 | rac-2q)
Show SMILES OC(=O)COc1ccc(Cl)cc1CC1CNC(=O)CN(C1=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H18Cl2N2O7S/c21-14-1-4-16(5-2-14)32(29,30)24-10-18(25)23-9-13(20(24)28)7-12-8-15(22)3-6-17(12)31-11-19(26)27/h1-6,8,13H,7,9-11H2,(H,23,25)(H,26,27)
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n/an/a 39n/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))
BDBM50210096
PNG
(2-(4-chloro-2-((1-(4-chlorophenylsulfonyl)-3,7-dio...)
Show SMILES CNC(=O)COc1ccc(Cl)cc1CC1CNC(=O)CN(C1=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21Cl2N3O6S/c1-24-20(28)12-32-18-7-4-16(23)9-13(18)8-14-10-25-19(27)11-26(21(14)29)33(30,31)17-5-2-15(22)3-6-17/h2-7,9,14H,8,10-12H2,1H3,(H,24,28)(H,25,27)
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n/an/a 42n/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))
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 |c:30|
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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n/an/a 43n/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
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50056733
PNG
(CHEMBL3327095)
Show SMILES OC(=O)CCc1ccc2n(cc(CCc3ccccc3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H22FNO2/c26-21-10-12-22(13-11-21)27-17-20(9-6-18-4-2-1-3-5-18)23-16-19(7-14-24(23)27)8-15-25(28)29/h1-5,7,10-14,16-17H,6,8-9,15H2,(H,28,29)
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n/an/a 58n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50056730
PNG
(CHEMBL3326948)
Show SMILES OC(=O)CCc1ccc2n(cc(CCc3ccccc3)c2c1)-c1ccccc1
Show InChI InChI=1S/C25H23NO2/c27-25(28)16-13-20-12-15-24-23(17-20)21(14-11-19-7-3-1-4-8-19)18-26(24)22-9-5-2-6-10-22/h1-10,12,15,17-18H,11,13-14,16H2,(H,27,28)
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n/an/a 75n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50056736
PNG
(CHEMBL3327093)
Show SMILES NC(CO)(CO)CO.Cc1ccc(cc1)-n1cc(CCc2ccccc2)c2cc(CCC(O)=O)ccc12
Show InChI InChI=1S/C26H25NO2/c1-19-7-13-23(14-8-19)27-18-22(12-9-20-5-3-2-4-6-20)24-17-21(10-15-25(24)27)11-16-26(28)29/h2-8,10,13-15,17-18H,9,11-12,16H2,1H3,(H,28,29)
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n/an/a 77n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50210113
PNG
(6-(5-chloro-2-ethoxybenzyl)-4-(4-chlorophenylsulfo...)
Show SMILES CCOc1ccc(Cl)cc1CC1CNC(=O)CN(C1=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H20Cl2N2O5S/c1-2-29-18-8-5-16(22)10-13(18)9-14-11-23-19(25)12-24(20(14)26)30(27,28)17-6-3-15(21)4-7-17/h3-8,10,14H,2,9,11-12H2,1H3,(H,23,25)
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n/an/a 83n/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))
BDBM50210097
PNG
(6-(2-chlorobenzyl)-4-(4-chlorophenylsulfonyl)-1,4-...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CC(=O)NCC(Cc2ccccc2Cl)C1=O
Show InChI InChI=1S/C18H16Cl2N2O4S/c19-14-5-7-15(8-6-14)27(25,26)22-11-17(23)21-10-13(18(22)24)9-12-3-1-2-4-16(12)20/h1-8,13H,9-11H2,(H,21,23)
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n/an/a 110n/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
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50056729
PNG
(CHEMBL3326949)
Show SMILES Cc1c(CCc2ccccc2)c2cc(CCC(O)=O)ccc2n1-c1ccccc1
Show InChI InChI=1S/C26H25NO2/c1-19-23(15-12-20-8-4-2-5-9-20)24-18-21(14-17-26(28)29)13-16-25(24)27(19)22-10-6-3-7-11-22/h2-11,13,16,18H,12,14-15,17H2,1H3,(H,28,29)
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n/an/a 130n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50056738
PNG
(CHEMBL3327091)
Show SMILES NC(CO)(CO)CO.OC(=O)CCc1ccc2n(cc(CCc3ccccc3)c2c1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H22F3NO3/c27-26(28,29)33-22-12-10-21(11-13-22)30-17-20(9-6-18-4-2-1-3-5-18)23-16-19(7-14-24(23)30)8-15-25(31)32/h1-5,7,10-14,16-17H,6,8-9,15H2,(H,31,32)
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n/an/a 140n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50210115
PNG
(6-(2-methoxybenzyl)-4-(4-chlorophenylsulfonyl)-1,4...)
Show SMILES COc1ccccc1CC1CNC(=O)CN(C1=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN2O5S/c1-27-17-5-3-2-4-13(17)10-14-11-21-18(23)12-22(19(14)24)28(25,26)16-8-6-15(20)7-9-16/h2-9,14H,10-12H2,1H3,(H,21,23)
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n/an/a 140n/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))
BDBM50210121
PNG
(6-(2-fluorobenzyl)-4-(4-chlorophenylsulfonyl)-1,4-...)
Show SMILES Fc1ccccc1CC1CNC(=O)CN(C1=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H16ClFN2O4S/c19-14-5-7-15(8-6-14)27(25,26)22-11-17(23)21-10-13(18(22)24)9-12-3-1-2-4-16(12)20/h1-8,13H,9-11H2,(H,21,23)
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n/an/a 150n/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))
BDBM100748
PNG
(CHEMBL246560 | US8507714, 277)
Show SMILES CC[C@@H](NC(=O)N1CC(=O)NC[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(N)c1
Show InChI InChI=1S/C24H27ClN4O6/c1-3-19(13-4-6-17(23(32)33)18(26)10-13)28-24(34)29-12-21(30)27-11-15(22(29)31)8-14-9-16(25)5-7-20(14)35-2/h4-7,9-10,15,19H,3,8,11-12,26H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)/t15-,19+/m0/s1
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n/an/a 170n/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: 3435-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.085
BindingDB Entry DOI: 10.7270/Q2MK6CKH
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50056731
PNG
(CHEMBL3326947)
Show SMILES OC(=O)CCc1ccc2n(cc(Cc3ccccc3)c2c1)-c1ccccc1
Show InChI InChI=1S/C24H21NO2/c26-24(27)14-12-19-11-13-23-22(16-19)20(15-18-7-3-1-4-8-18)17-25(23)21-9-5-2-6-10-21/h1-11,13,16-17H,12,14-15H2,(H,26,27)
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n/an/a 180n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50210109
PNG
(6-(2-ethoxybenzyl)-4-(4-chlorophenylsulfonyl)-1,4-...)
Show SMILES CCOc1ccccc1CC1CNC(=O)CN(C1=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN2O5S/c1-2-28-18-6-4-3-5-14(18)11-15-12-22-19(24)13-23(20(15)25)29(26,27)17-9-7-16(21)8-10-17/h3-10,15H,2,11-13H2,1H3,(H,22,24)
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n/an/a 180n/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
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50056711
PNG
(CHEMBL3326967)
Show SMILES OC(=O)CCc1ccc2n(cc(CCc3ccccc3)c2c1)-c1cccc(O)c1
Show InChI InChI=1S/C25H23NO3/c27-22-8-4-7-21(16-22)26-17-20(12-9-18-5-2-1-3-6-18)23-15-19(10-13-24(23)26)11-14-25(28)29/h1-8,10,13,15-17,27H,9,11-12,14H2,(H,28,29)
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n/an/a 190n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50210110
PNG
(6-(5-chloro-2-propoxybenzyl)-4-(4-chlorophenylsulf...)
Show SMILES CCCOc1ccc(Cl)cc1CC1CNC(=O)CN(C1=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22Cl2N2O5S/c1-2-9-30-19-8-5-17(23)11-14(19)10-15-12-24-20(26)13-25(21(15)27)31(28,29)18-6-3-16(22)4-7-18/h3-8,11,15H,2,9-10,12-13H2,1H3,(H,24,26)
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n/an/a 220n/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))
BDBM50210729
PNG
(3-((R)-1-((R)-6-(5-chloro-2-methoxybenzyl)-2,5-dio...)
Show SMILES CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C24H26ClN3O6/c1-3-19(14-5-4-6-15(9-14)23(31)32)27-24(33)28-13-21(29)26-12-17(22(28)30)10-16-11-18(25)7-8-20(16)34-2/h4-9,11,17,19H,3,10,12-13H2,1-2H3,(H,26,29)(H,27,33)(H,31,32)/t17-,19-/m1/s1
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n/an/a 240n/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: 3435-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.085
BindingDB Entry DOI: 10.7270/Q2MK6CKH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50210114
PNG
(6-(2-butoxy-5-chlorobenzyl)-4-(4-chlorophenylsulfo...)
Show SMILES CCCCOc1ccc(Cl)cc1CC1CNC(=O)CN(C1=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24Cl2N2O5S/c1-2-3-10-31-20-9-6-18(24)12-15(20)11-16-13-25-21(27)14-26(22(16)28)32(29,30)19-7-4-17(23)5-8-19/h4-9,12,16H,2-3,10-11,13-14H2,1H3,(H,25,27)
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n/an/a 280n/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))
BDBM50210730
PNG
(4-((R)-1-((R)-6-(5-chloro-2-methoxybenzyl)-2,5-dio...)
Show SMILES CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(N)c1
Show InChI InChI=1S/C24H27ClN4O6/c1-3-19(13-4-6-17(23(32)33)18(26)10-13)28-24(34)29-12-21(30)27-11-15(22(29)31)8-14-9-16(25)5-7-20(14)35-2/h4-7,9-10,15,19H,3,8,11-12,26H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)/t15-,19-/m1/s1
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n/an/a 300n/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: 3435-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.085
BindingDB Entry DOI: 10.7270/Q2MK6CKH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50210118
PNG
(6-(3-chlorobenzyl)-4-(4-chlorophenylsulfonyl)-1,4-...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CC(=O)NCC(Cc2cccc(Cl)c2)C1=O
Show InChI InChI=1S/C18H16Cl2N2O4S/c19-14-4-6-16(7-5-14)27(25,26)22-11-17(23)21-10-13(18(22)24)8-12-2-1-3-15(20)9-12/h1-7,9,13H,8,10-11H2,(H,21,23)
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n/an/a 310n/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
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50056718
PNG
(CHEMBL3326960)
Show SMILES OC(=O)\C=C\c1ccc2n(cc(CCc3ccccc3)c2c1)-c1ccccc1
Show InChI InChI=1S/C25H21NO2/c27-25(28)16-13-20-12-15-24-23(17-20)21(14-11-19-7-3-1-4-8-19)18-26(24)22-9-5-2-6-10-22/h1-10,12-13,15-18H,11,14H2,(H,27,28)/b16-13+
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n/an/a 320n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50056714
PNG
(CHEMBL3326964)
Show SMILES NC(CO)(CO)CO.OC(=O)CCc1ccc2c(CCc3ccccc3)cn(-c3ccccc3)c2c1
Show InChI InChI=1S/C25H23NO2/c27-25(28)16-13-20-12-15-23-21(14-11-19-7-3-1-4-8-19)18-26(24(23)17-20)22-9-5-2-6-10-22/h1-10,12,15,17-18H,11,13-14,16H2,(H,27,28)
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n/an/a 400n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50210725
PNG
(5-(1-(6-(5-chloro-2-methoxybenzyl)-2,5-dioxo-1,4-d...)
Show SMILES CCC(NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C24H26ClN3O7/c1-3-18(13-4-6-19(29)17(10-13)23(32)33)27-24(34)28-12-21(30)26-11-15(22(28)31)8-14-9-16(25)5-7-20(14)35-2/h4-7,9-10,15,18,29H,3,8,11-12H2,1-2H3,(H,26,30)(H,27,34)(H,32,33)
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n/an/a 410n/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: 3435-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.085
BindingDB Entry DOI: 10.7270/Q2MK6CKH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50210725
PNG
(5-(1-(6-(5-chloro-2-methoxybenzyl)-2,5-dioxo-1,4-d...)
Show SMILES CCC(NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C24H26ClN3O7/c1-3-18(13-4-6-19(29)17(10-13)23(32)33)27-24(34)28-12-21(30)26-11-15(22(28)31)8-14-9-16(25)5-7-20(14)35-2/h4-7,9-10,15,18,29H,3,8,11-12H2,1-2H3,(H,26,30)(H,27,34)(H,32,33)
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n/an/a 410n/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: 3435-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.085
BindingDB Entry DOI: 10.7270/Q2MK6CKH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50210117
PNG
(6-benzyl-4-(4-chlorophenylsulfonyl)-1,4-diazepane-...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CC(=O)NCC(Cc2ccccc2)C1=O
Show InChI InChI=1S/C18H17ClN2O4S/c19-15-6-8-16(9-7-15)26(24,25)21-12-17(22)20-11-14(18(21)23)10-13-4-2-1-3-5-13/h1-9,14H,10-12H2,(H,20,22)
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n/an/a 420n/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))
BDBM50210106
PNG
(6-(4-chlorobenzyl)-4-(4-chlorophenylsulfonyl)-1,4-...)
Show SMILES Clc1ccc(CC2CNC(=O)CN(C2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H16Cl2N2O4S/c19-14-3-1-12(2-4-14)9-13-10-21-17(23)11-22(18(13)24)27(25,26)16-7-5-15(20)6-8-16/h1-8,13H,9-11H2,(H,21,23)
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n/an/a 460n/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))
BDBM50210733
PNG
(4-(1-(6-(5-chloro-2-methoxybenzyl)-2,5-dioxo-1,4-d...)
Show SMILES CCC(NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C24H26ClN3O7/c1-3-18(13-4-6-17(23(32)33)19(29)10-13)27-24(34)28-12-21(30)26-11-15(22(28)31)8-14-9-16(25)5-7-20(14)35-2/h4-7,9-10,15,18,29H,3,8,11-12H2,1-2H3,(H,26,30)(H,27,34)(H,32,33)
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n/an/a 460n/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: 3435-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.085
BindingDB Entry DOI: 10.7270/Q2MK6CKH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50210733
PNG
(4-(1-(6-(5-chloro-2-methoxybenzyl)-2,5-dioxo-1,4-d...)
Show SMILES CCC(NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C24H26ClN3O7/c1-3-18(13-4-6-17(23(32)33)19(29)10-13)27-24(34)28-12-21(30)26-11-15(22(28)31)8-14-9-16(25)5-7-20(14)35-2/h4-7,9-10,15,18,29H,3,8,11-12H2,1-2H3,(H,26,30)(H,27,34)(H,32,33)
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n/an/a 460n/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: 3435-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.085
BindingDB Entry DOI: 10.7270/Q2MK6CKH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50210741
PNG
(4-(1-(6-(5-chloro-2-methoxybenzyl)-2,5-dioxo-1,4-d...)
Show SMILES CCC(NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H26ClN3O6/c1-3-19(14-4-6-15(7-5-14)23(31)32)27-24(33)28-13-21(29)26-12-17(22(28)30)10-16-11-18(25)8-9-20(16)34-2/h4-9,11,17,19H,3,10,12-13H2,1-2H3,(H,26,29)(H,27,33)(H,31,32)
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n/an/a 470n/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: 3435-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.085
BindingDB Entry DOI: 10.7270/Q2MK6CKH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50210741
PNG
(4-(1-(6-(5-chloro-2-methoxybenzyl)-2,5-dioxo-1,4-d...)
Show SMILES CCC(NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H26ClN3O6/c1-3-19(14-4-6-15(7-5-14)23(31)32)27-24(33)28-13-21(29)26-12-17(22(28)30)10-16-11-18(25)8-9-20(16)34-2/h4-9,11,17,19H,3,10,12-13H2,1-2H3,(H,26,29)(H,27,33)(H,31,32)
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n/an/a 470n/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: 3435-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.085
BindingDB Entry DOI: 10.7270/Q2MK6CKH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50210740
PNG
(4-(1-(6-(5-chloro-2-methoxybenzyl)-2,5-dioxo-1,4-d...)
Show SMILES CCC(NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(N)c1
Show InChI InChI=1S/C24H27ClN4O6/c1-3-19(13-4-6-17(23(32)33)18(26)10-13)28-24(34)29-12-21(30)27-11-15(22(29)31)8-14-9-16(25)5-7-20(14)35-2/h4-7,9-10,15,19H,3,8,11-12,26H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)
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n/an/a 500n/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: 3435-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.085
BindingDB Entry DOI: 10.7270/Q2MK6CKH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50210740
PNG
(4-(1-(6-(5-chloro-2-methoxybenzyl)-2,5-dioxo-1,4-d...)
Show SMILES CCC(NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(N)c1
Show InChI InChI=1S/C24H27ClN4O6/c1-3-19(13-4-6-17(23(32)33)18(26)10-13)28-24(34)29-12-21(30)27-11-15(22(29)31)8-14-9-16(25)5-7-20(14)35-2/h4-7,9-10,15,19H,3,8,11-12,26H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)
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n/an/a 500n/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: 3435-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.085
BindingDB Entry DOI: 10.7270/Q2MK6CKH
More data for this
Ligand-Target Pair
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