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10 similar compounds to monomer 100334

Compile data set for download or QSAR
Wt: 438.4
BDBM100316
Wt: 424.4
BDBM100317
Wt: 452.5
BDBM100318
Wt: 452.5
BDBM100319
Wt: 438.4
BDBM100321
Wt: 438.4
BDBM100322
Wt: 438.4
BDBM100328
Wt: 438.4
BDBM100329
Wt: 438.4
BDBM100332
Wt: 424.4
BDBM100337

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 100316,100317,100318,100319,100321,100322,100328,100329,100332,100337   
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))
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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US Patent
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))
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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US Patent
n/an/a 7n/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))
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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US Patent
n/an/a 2.60n/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))
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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US Patent
n/an/a 7n/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))
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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US Patent
n/an/a 2.70n/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))
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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US Patent
n/an/a 4.80n/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))
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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US Patent
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))
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.


US Patent US8501749 (2013)


BindingDB Entry DOI: 10.7270/Q28G8JB2
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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US Patent
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
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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US Patent
n/an/a 4n/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