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Compile Data Set for Download or QSAR

Found 448 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
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Chymase


(Homo sapiens (human))
BDBM100340
PNG
(US8501749, 40)
Show SMILES CCCCC(CC(O)=O)n1c(=O)n(Cc2cn(C)c3cc(C)cc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C26H30N4O4/c1-5-6-8-19(13-22(31)32)30-25(33)24-20(9-7-10-27-24)29(26(30)34)15-18-14-28(4)21-12-16(2)11-17(3)23(18)21/h7,9-12,14,19H,5-6,8,13,15H2,1-4H3,(H,31,32)
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n/an/a 0.300n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100336
PNG
(US8501749, 36)
Show SMILES CC[C@H](CC(O)=O)n1c(=O)n(Cc2cn(C)c3cc(C)cc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C24H26N4O4/c1-5-17(11-20(29)30)28-23(31)22-18(7-6-8-25-22)27(24(28)32)13-16-12-26(4)19-10-14(2)9-15(3)21(16)19/h6-10,12,17H,5,11,13H2,1-4H3,(H,29,30)/t17-/m1/s1
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n/an/a 0.400n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50332961
PNG
((3S,4S)-3-Benzyl-4-(4-methylpiperazincarbonyl)phen...)
Show SMILES C[C@@H](NC(=O)N1[C@H](Oc2ccc(cc2)N2CCN(C)CC2)[C@H](Cc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C30H34N4O3/c1-22(24-11-7-4-8-12-24)31-30(36)34-28(35)27(21-23-9-5-3-6-10-23)29(34)37-26-15-13-25(14-16-26)33-19-17-32(2)18-20-33/h3-16,22,27,29H,17-21H2,1-2H3,(H,31,36)/t22-,27-,29-/m1/s1
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n/an/a 0.460n/an/an/an/an/an/a



Barkatullah University

Curated by ChEMBL


Assay Description
Inhibition of human Chymase


Eur J Med Chem 45: 5541-60 (2010)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100335
PNG
(US8501749, 35)
Show SMILES Cc1cc(C)c2c(Cn3c4cccnc4c(=O)n(C(CC(O)=O)C4CC4)c3=O)cn(C)c2c1
Show InChI InChI=1S/C25H26N4O4/c1-14-9-15(2)22-17(12-27(3)20(22)10-14)13-28-18-5-4-8-26-23(18)24(32)29(25(28)33)19(11-21(30)31)16-6-7-16/h4-5,8-10,12,16,19H,6-7,11,13H2,1-3H3,(H,30,31)
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n/an/a 0.700n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100338
PNG
(US8501749, 38)
Show SMILES CC[C@H](CC(O)=O)n1c(=O)n(Cc2cn(C)c3cc(C)cc(C)c23)c2ccncc2c1=O
Show InChI InChI=1S/C24H26N4O4/c1-5-17(10-21(29)30)28-23(31)18-11-25-7-6-19(18)27(24(28)32)13-16-12-26(4)20-9-14(2)8-15(3)22(16)20/h6-9,11-12,17H,5,10,13H2,1-4H3,(H,29,30)/t17-/m1/s1
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n/an/a 0.700n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50101136
PNG
(1,3-Bis-benzo[1,3]dioxol-5-ylmethyl-[1,3]diazetidi...)
Show SMILES O=C1N(Cc2ccc3OCOc3c2)C(=O)N1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C18H14N2O6/c21-17-19(7-11-1-3-13-15(5-11)25-9-23-13)18(22)20(17)8-12-2-4-14-16(6-12)26-10-24-14/h1-6H,7-10H2
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n/an/a 0.850n/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


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100324
PNG
(US8501749, 24)
Show SMILES CCCC[C@H](C(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2ccncc2c1=O
Show InChI InChI=1S/C24H26N4O4/c1-4-5-8-20(23(30)31)28-22(29)17-12-25-11-10-18(17)27(24(28)32)14-16-13-26(3)19-9-6-7-15(2)21(16)19/h6-7,9-13,20H,4-5,8,14H2,1-3H3,(H,30,31)/t20-/m1/s1
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n/an/a 0.900n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100341
PNG
(US8501749, 41)
Show SMILES CCCC(CC(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C24H26N4O4/c1-4-7-17(12-20(29)30)28-23(31)22-19(10-6-11-25-22)27(24(28)32)14-16-13-26(3)18-9-5-8-15(2)21(16)18/h5-6,8-11,13,17H,4,7,12,14H2,1-3H3,(H,29,30)
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n/an/a 1.30n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100330
PNG
(US8501749, 30)
Show SMILES CC[C@H](CC(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C23H24N4O4/c1-4-16(11-19(28)29)27-22(30)21-18(9-6-10-24-21)26(23(27)31)13-15-12-25(3)17-8-5-7-14(2)20(15)17/h5-10,12,16H,4,11,13H2,1-3H3,(H,28,29)/t16-/m1/s1
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n/an/a 1.40n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100339
PNG
(US8501749, 39)
Show SMILES CCCCC(CC(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C25H28N4O4/c1-4-5-9-18(13-21(30)31)29-24(32)23-20(11-7-12-26-23)28(25(29)33)15-17-14-27(3)19-10-6-8-16(2)22(17)19/h6-8,10-12,14,18H,4-5,9,13,15H2,1-3H3,(H,30,31)
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n/an/a 1.40n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50101135
PNG
(1,3-Bis-(4-methoxy-benzyl)-[1,3]diazetidine-2,4-di...)
Show SMILES COc1ccc(CN2C(=O)N(Cc3ccc(OC)cc3)C2=O)cc1
Show InChI InChI=1S/C18H18N2O4/c1-23-15-7-3-13(4-8-15)11-19-17(21)20(18(19)22)12-14-5-9-16(24-2)10-6-14/h3-10H,11-12H2,1-2H3
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n/an/a 2n/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


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100320
PNG
(US8501749, 20)
Show SMILES CCC[C@@H](C(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2ccncc2c1=O
Show InChI InChI=1S/C23H24N4O4/c1-4-6-19(22(29)30)27-21(28)16-11-24-10-9-17(16)26(23(27)31)13-15-12-25(3)18-8-5-7-14(2)20(15)18/h5,7-12,19H,4,6,13H2,1-3H3,(H,29,30)/t19-/m0/s1
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n/an/a 2.10n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100331
PNG
(US8501749, 31)
Show SMILES CC[C@H](CC(O)=O)n1c(=O)n(Cc2nsc3cc(C)cc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C22H22N4O4S/c1-4-14(10-18(27)28)26-21(29)20-16(6-5-7-23-20)25(22(26)30)11-15-19-13(3)8-12(2)9-17(19)31-24-15/h5-9,14H,4,10-11H2,1-3H3,(H,27,28)/t14-/m1/s1
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n/an/a 2.20n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50101137
PNG
(1,3-Bis-(3-methoxy-benzyl)-[1,3]diazetidine-2,4-di...)
Show SMILES COc1cccc(CN2C(=O)N(Cc3cccc(OC)c3)C2=O)c1
Show InChI InChI=1S/C18H18N2O4/c1-23-15-7-3-5-13(9-15)11-19-17(21)20(18(19)22)12-14-6-4-8-16(10-14)24-2/h3-10H,11-12H2,1-2H3
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n/an/a 2.30n/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


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100325
PNG
(US8501749, 25)
Show SMILES CC[C@H](CC(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2ccncc2c1=O
Show InChI InChI=1S/C23H24N4O4/c1-4-16(10-20(28)29)27-22(30)17-11-24-9-8-18(17)26(23(27)31)13-15-12-25(3)19-7-5-6-14(2)21(15)19/h5-9,11-12,16H,4,10,13H2,1-3H3,(H,28,29)/t16-/m1/s1
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n/an/a 2.5n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100318
PNG
(US8501749, 18)
Show SMILES CCCC[C@H](C(O)=O)n1c(=O)n(Cc2nsc3cc(C)cc(C)c23)c2ccncc2c1=O
Show InChI InChI=1S/C23H24N4O4S/c1-4-5-6-18(22(29)30)27-21(28)15-11-24-8-7-17(15)26(23(27)31)12-16-20-14(3)9-13(2)10-19(20)32-25-16/h7-11,18H,4-6,12H2,1-3H3,(H,29,30)/t18-/m1/s1
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n/an/a 2.60n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100334
PNG
(US8501749, 34)
Show SMILES CC[C@H](C(O)=O)n1c(=O)n(Cc2nsc3cc(C)cc(C)c23)c2ccncc2c1=O
Show InChI InChI=1S/C21H20N4O4S/c1-4-15(20(27)28)25-19(26)13-9-22-6-5-16(13)24(21(25)29)10-14-18-12(3)7-11(2)8-17(18)30-23-14/h5-9,15H,4,10H2,1-3H3,(H,27,28)/t15-/m1/s1
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n/an/a 2.60n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100337
PNG
(US8501749, 37)
Show SMILES CC[C@@H](C(O)=O)n1c(=O)n(Cc2nsc3cc(C)cc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C21H20N4O4S/c1-4-14(20(27)28)25-19(26)18-15(6-5-7-22-18)24(21(25)29)10-13-17-12(3)8-11(2)9-16(17)30-23-13/h5-9,14H,4,10H2,1-3H3,(H,27,28)/t14-/m0/s1
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n/an/a 2.70n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134267
PNG
(US8846660, 41)
Show SMILES COc1ccc(Cl)cc1CC1CN\C(CN(C(=O)N[C@H](C)c2ccc(CC(O)=O)cc2)C1=O)=N/Oc1cc(F)cc(F)c1
Show InChI InChI=1S/C30H29ClF2N4O6/c1-17(19-5-3-18(4-6-19)9-28(38)39)35-30(41)37-16-27(36-43-25-13-23(32)12-24(33)14-25)34-15-21(29(37)40)10-20-11-22(31)7-8-26(20)42-2/h3-8,11-14,17,21H,9-10,15-16H2,1-2H3,(H,34,36)(H,35,41)(H,38,39)/t17-,21?/m1/s1
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n/an/a 3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100327
PNG
(US8501749, 27)
Show SMILES CC[C@@H](CC(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C23H24N4O4/c1-4-16(11-19(28)29)27-22(30)21-18(9-6-10-24-21)26(23(27)31)13-15-12-25(3)17-8-5-7-14(2)20(15)17/h5-10,12,16H,4,11,13H2,1-3H3,(H,28,29)/t16-/m0/s1
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n/an/a 3n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50332960
PNG
((3S,4S)-4-(4-Carboxy)phenoxy-1-[diphenylmethyl)ami...)
Show SMILES CCOc1ccccc1C[C@H]1[C@@H](Oc2ccc(cc2)C(O)=O)N(C(=O)NC(c2ccccc2)c2ccccc2)C1=O
Show InChI InChI=1S/C33H30N2O6/c1-2-40-28-16-10-9-15-25(28)21-27-30(36)35(31(27)41-26-19-17-24(18-20-26)32(37)38)33(39)34-29(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-20,27,29,31H,2,21H2,1H3,(H,34,39)(H,37,38)/t27-,31-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Barkatullah University

Curated by ChEMBL


Assay Description
Inhibition of human Chymase


Eur J Med Chem 45: 5541-60 (2010)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100312
PNG
(US8501749, 12)
Show SMILES Cc1cccc2n(C)cc(Cn3c4ccncc4c(=O)n([C@H](C(O)=O)c4ccccc4)c3=O)c12
Show InChI InChI=1S/C26H22N4O4/c1-16-7-6-10-21-22(16)18(14-28(21)2)15-29-20-11-12-27-13-19(20)24(31)30(26(29)34)23(25(32)33)17-8-4-3-5-9-17/h3-14,23H,15H2,1-2H3,(H,32,33)/t23-/m0/s1
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n/an/a 3.10n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50208225
PNG
((E)-2-(3-chlorostyrylamino)-1-(5-chlorobenzo[b]thi...)
Show SMILES CP(O)(=O)C(C(=O)NC=Cc1cccc(Cl)c1)c1csc2ccc(Cl)cc12
Show InChI InChI=1S/C19H16Cl2NO3PS/c1-26(24,25)18(16-11-27-17-6-5-14(21)10-15(16)17)19(23)22-8-7-12-3-2-4-13(20)9-12/h2-11,18H,1H3,(H,22,23)(H,24,25)
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n/an/a 3.5n/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)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50101132
PNG
(1,3-Dibenzyl-[1,3]diazetidine-2,4-dione | CHEMBL47...)
Show SMILES O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C16H14N2O2/c19-15-17(11-13-7-3-1-4-8-13)16(20)18(15)12-14-9-5-2-6-10-14/h1-10H,11-12H2
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n/an/a 4n/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


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100321
PNG
(US8501749, 21)
Show SMILES CCC[C@H](C(O)=O)n1c(=O)n(Cc2nsc3cc(C)cc(C)c23)c2ccncc2c1=O
Show InChI InChI=1S/C22H22N4O4S/c1-4-5-17(21(28)29)26-20(27)14-10-23-7-6-16(14)25(22(26)30)11-15-19-13(3)8-12(2)9-18(19)31-24-15/h6-10,17H,4-5,11H2,1-3H3,(H,28,29)/t17-/m1/s1
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n/an/a 4n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134262
PNG
(US8846660, 30)
Show SMILES COc1ccc(Cl)cc1CC1CN\C(CN(C(=O)N[C@H](C)c2ccc(C(O)=O)c(N)c2)C1=O)=N/Oc1cc(F)cc(F)c1
Show InChI InChI=1S/C29H28ClF2N5O6/c1-15(16-3-5-23(28(39)40)24(33)9-16)35-29(41)37-14-26(36-43-22-11-20(31)10-21(32)12-22)34-13-18(27(37)38)7-17-8-19(30)4-6-25(17)42-2/h3-6,8-12,15,18H,7,13-14,33H2,1-2H3,(H,34,36)(H,35,41)(H,39,40)/t15-,18?/m1/s1
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n/an/a 4n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50208224
PNG
(2-(3-((1-(2-naphthoyl)piperidin-4-yl)(methyl)carba...)
Show SMILES CN(C1CCN(CC1)C(=O)c1ccc2ccccc2c1)C(=O)c1cc2ccccc2cc1C(=O)C(c1cccc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C40H35N2O6P/c1-41(32-19-21-42(22-20-32)39(44)31-18-17-26-9-2-3-11-28(26)23-31)40(45)36-25-30-13-5-4-12-29(30)24-35(36)37(43)38(49(46,47)48)34-16-8-14-27-10-6-7-15-33(27)34/h2-18,23-25,32,38H,19-22H2,1H3,(H2,46,47,48)
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n/an/a 4.5n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chymase


(Homo sapiens (human))
BDBM100322
PNG
(US8501749, 22)
Show SMILES CCC[C@@H](C(O)=O)n1c(=O)n(Cc2nsc3cc(C)cc(C)c23)c2ccncc2c1=O
Show InChI InChI=1S/C22H22N4O4S/c1-4-5-17(21(28)29)26-20(27)14-10-23-7-6-16(14)25(22(26)30)11-15-19-13(3)8-12(2)9-18(19)31-24-15/h6-10,17H,4-5,11H2,1-3H3,(H,28,29)/t17-/m0/s1
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n/an/a 4.80n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50075109
PNG
(1,1-dimethyl-2-phenylcarboxamidoheptanoic anhydrid...)
Show SMILES CCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCC)NC(=O)c1ccccc1
Show InChI InChI=1S/C32H44N2O5/c1-7-9-21-25(33-27(35)23-17-13-11-14-18-23)31(3,4)29(37)39-30(38)32(5,6)26(22-10-8-2)34-28(36)24-19-15-12-16-20-24/h11-20,25-26H,7-10,21-22H2,1-6H3,(H,33,35)(H,34,36)
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n/an/a 5n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50075107
PNG
(1,1-dimethyl-4-phenyl-2-propylcarboxamidopentanoic...)
Show SMILES CCCC(=O)NC(CCc1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)CCC
Show InChI InChI=1S/C34H48N2O5/c1-7-15-29(37)35-27(23-21-25-17-11-9-12-18-25)33(3,4)31(39)41-32(40)34(5,6)28(36-30(38)16-8-2)24-22-26-19-13-10-14-20-26/h9-14,17-20,27-28H,7-8,15-16,21-24H2,1-6H3,(H,35,37)(H,36,38)
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n/an/a 5.60n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100308
PNG
(US8501749, 8)
Show SMILES Cc1cccc2n(C)cc(Cn3c4cccnc4c(=O)n(CC(O)=O)c3=O)c12
Show InChI InChI=1S/C20H18N4O4/c1-12-5-3-6-14-17(12)13(9-22(14)2)10-23-15-7-4-8-21-18(15)19(27)24(20(23)28)11-16(25)26/h3-9H,10-11H2,1-2H3,(H,25,26)
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n/an/a 6.10n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100326
PNG
(US8501749, 26)
Show SMILES CC[C@H](CC(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2cnccc2c1=O
Show InChI InChI=1S/C23H24N4O4/c1-4-16(10-20(28)29)27-22(30)17-8-9-24-11-19(17)26(23(27)31)13-15-12-25(3)18-7-5-6-14(2)21(15)18/h5-9,11-12,16H,4,10,13H2,1-3H3,(H,28,29)/t16-/m1/s1
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n/an/a 6.10n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100317
PNG
(US8501749, 17)
Show SMILES CC[C@@H](C(O)=O)n1c(=O)n(Cc2nsc3cc(C)cc(C)c23)c2ccncc2c1=O
Show InChI InChI=1S/C21H20N4O4S/c1-4-15(20(27)28)25-19(26)13-9-22-6-5-16(13)24(21(25)29)10-14-18-12(3)7-11(2)8-17(18)30-23-14/h5-9,15H,4,10H2,1-3H3,(H,27,28)/t15-/m0/s1
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n/an/a 7n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100319
PNG
(US8501749, 19)
Show SMILES CCCC[C@@H](C(O)=O)n1c(=O)n(Cc2nsc3cc(C)cc(C)c23)c2ccncc2c1=O
Show InChI InChI=1S/C23H24N4O4S/c1-4-5-6-18(22(29)30)27-21(28)15-11-24-8-7-17(15)26(23(27)31)12-16-20-14(3)9-13(2)10-19(20)32-25-16/h7-11,18H,4-6,12H2,1-3H3,(H,29,30)/t18-/m0/s1
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n/an/a 7n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM144347
PNG
(US8969348, {4-[(1,4-Dimethyl-1H-indol-3-yl)methyl]...)
Show SMILES Cc1cccc2n(C)cc(Cc3nn(C(C(O)=O)c4ccccc4)c(=O)c4ccccc34)c12
Show InChI InChI=1S/C27H23N3O3/c1-17-9-8-14-23-24(17)19(16-29(23)2)15-22-20-12-6-7-13-21(20)26(31)30(28-22)25(27(32)33)18-10-4-3-5-11-18/h3-14,16,25H,15H2,1-2H3,(H,32,33)
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Chymase assays were performed in a total volume of 15 uL in Corning black opaque 384-well microtiter plates with a non-binding surface (Corning, N.Y....


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134278
PNG
(US8846660, 96)
Show SMILES CCC[C@@H](NC(=O)N1CC2=NOCC(=O)N2CC(Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(N)c1
Show InChI InChI=1S/C27H30ClN5O7/c1-3-4-21(15-5-7-19(26(36)37)20(29)11-15)30-27(38)33-13-23-31-40-14-24(34)32(23)12-17(25(33)35)9-16-10-18(28)6-8-22(16)39-2/h5-8,10-11,17,21H,3-4,9,12-14,29H2,1-2H3,(H,30,38)(H,36,37)/t17?,21-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100333
PNG
(US8501749, 33)
Show SMILES CC[C@@H](CC(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2cnccc2c1=O
Show InChI InChI=1S/C23H24N4O4/c1-4-16(10-20(28)29)27-22(30)17-8-9-24-11-19(17)26(23(27)31)13-15-12-25(3)18-7-5-6-14(2)21(15)18/h5-9,11-12,16H,4,10,13H2,1-3H3,(H,28,29)/t16-/m0/s1
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n/an/a 7.40n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100315
PNG
(US8501749, 15)
Show SMILES CC[C@@H](CC(O)=O)n1c(=O)n(Cc2nsc3cc(C)cc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C22H22N4O4S/c1-4-14(10-18(27)28)26-21(29)20-16(6-5-7-23-20)25(22(26)30)11-15-19-13(3)8-12(2)9-17(19)31-24-15/h5-9,14H,4,10-11H2,1-3H3,(H,27,28)/t14-/m0/s1
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n/an/a 8n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM144346
PNG
(US8969348, 2-{4-[(1,4-Dimethyl-1H-indol-3-yl)methy...)
Show SMILES CCCC(C(O)=O)n1nc(Cc2cn(C)c3cccc(C)c23)c2ccccc2c1=O
Show InChI InChI=1S/C24H25N3O3/c1-4-8-21(24(29)30)27-23(28)18-11-6-5-10-17(18)19(25-27)13-16-14-26(3)20-12-7-9-15(2)22(16)20/h5-7,9-12,14,21H,4,8,13H2,1-3H3,(H,29,30)
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n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Chymase assays were performed in a total volume of 15 uL in Corning black opaque 384-well microtiter plates with a non-binding surface (Corning, N.Y....


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134276
PNG
(US8846660, 76)
Show SMILES CC[C@@H](NC(=O)N1C\C(NCC(Cc2cc(Cl)ccc2OC)C1=O)=N\Oc1ccccc1)c1ccc(C(O)=O)c(N)c1
Show InChI InChI=1S/C30H32ClN5O6/c1-3-25(18-9-11-23(29(38)39)24(32)15-18)34-30(40)36-17-27(35-42-22-7-5-4-6-8-22)33-16-20(28(36)37)13-19-14-21(31)10-12-26(19)41-2/h4-12,14-15,20,25H,3,13,16-17,32H2,1-2H3,(H,33,35)(H,34,40)(H,38,39)/t20?,25-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100307
PNG
(US8501749, 7)
Show SMILES Cc1cccc2n(C)cc(Cn3c4ccncc4c(=O)n(CC(O)=O)c3=O)c12
Show InChI InChI=1S/C20H18N4O4/c1-12-4-3-5-16-18(12)13(9-22(16)2)10-23-15-6-7-21-8-14(15)19(27)24(20(23)28)11-17(25)26/h3-9H,10-11H2,1-2H3,(H,25,26)
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n/an/a 9.60n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100329
PNG
(US8501749, 29)
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-/m1/s1
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n/an/a 9.90n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50208236
PNG
(1-(5-chloro-1-methyl-1H-indol-3-yl)-2-(naphthalen-...)
Show SMILES Cn1cc(C(C(=O)Nc2ccc3ccccc3c2)P(C)(O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C22H20ClN2O3P/c1-25-13-19(18-12-16(23)8-10-20(18)25)21(29(2,27)28)22(26)24-17-9-7-14-5-3-4-6-15(14)11-17/h3-13,21H,1-2H3,(H,24,26)(H,27,28)
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n/an/a 10n/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)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134266
PNG
(US8846660, 40)
Show SMILES COc1ccc(Cl)cc1CC1CN\C(CN(C(=O)N[C@H](C)c2ccc(CC(O)=O)cc2)C1=O)=N/Oc1ccc(F)cc1
Show InChI InChI=1S/C30H30ClFN4O6/c1-18(20-5-3-19(4-6-20)13-28(37)38)34-30(40)36-17-27(35-42-25-10-8-24(32)9-11-25)33-16-22(29(36)39)14-21-15-23(31)7-12-26(21)41-2/h3-12,15,18,22H,13-14,16-17H2,1-2H3,(H,33,35)(H,34,40)(H,37,38)/t18-,22?/m1/s1
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n/an/a 10n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134263
PNG
(US8846660, 31)
Show SMILES COc1ccc(Cl)cc1CC1CN\C(CN(C(=O)N[C@H](C)c2ccc(C(O)=O)c(N)c2)C1=O)=N/Oc1ccccn1
Show InChI InChI=1S/C28H29ClN6O6/c1-16(17-6-8-21(27(37)38)22(30)13-17)33-28(39)35-15-24(34-41-25-5-3-4-10-31-25)32-14-19(26(35)36)11-18-12-20(29)7-9-23(18)40-2/h3-10,12-13,16,19H,11,14-15,30H2,1-2H3,(H,32,34)(H,33,39)(H,37,38)/t16-,19?/m1/s1
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n/an/a 10n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134261
PNG
(US8846660, 29)
Show SMILES COc1ccc(Cl)cc1CC1CN\C(CN(C(=O)N[C@H](C)c2ccc(C(O)=O)c(N)c2)C1=O)=N/Oc1ccc(F)cc1
Show InChI InChI=1S/C29H29ClFN5O6/c1-16(17-3-9-23(28(38)39)24(32)13-17)34-29(40)36-15-26(35-42-22-7-5-21(31)6-8-22)33-14-19(27(36)37)11-18-12-20(30)4-10-25(18)41-2/h3-10,12-13,16,19H,11,14-15,32H2,1-2H3,(H,33,35)(H,34,40)(H,38,39)/t16-,19?/m1/s1
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n/an/a 10n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
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.


Citation and Details
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)

More data for this
Ligand-Target Pair
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