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PubMed code 23425156

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
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
Renin


(Homo sapiens (Human))		BDBM50427564
PNG
(CHEMBL2322611)
Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C27H38N2O4/c1-20(2)29(19-24-18-28-17-23(24)15-21-9-6-5-7-10-21)27(30)22-11-12-25(32-4)26(16-22)33-14-8-13-31-3/h5-7,9-12,16,20,23-24,28H,8,13-15,17-19H2,1-4H3/t23-,24+/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin expressed in CHO cells using RE(EDANS)IHPFHLVIHTK(Dabcyl)R as substrate incubated for 1 hr prior to substrate a...

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Renin


(Homo sapiens (Human))		BDBM50427564
PNG
(CHEMBL2322611)
Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C27H38N2O4/c1-20(2)29(19-24-18-28-17-23(24)15-21-9-6-5-7-10-21)27(30)22-11-12-25(32-4)26(16-22)33-14-8-13-31-3/h5-7,9-12,16,20,23-24,28H,8,13-15,17-19H2,1-4H3/t23-,24+/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of renin in human plasma using RE(EDANS)IHPFHLVIHTK(Dabcyl)R as substrate incubated for 1 hr prior to substrate addition measured after 2 ...

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Renin


(Homo sapiens (Human))		BDBM50427564
PNG
(CHEMBL2322611)
Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C27H38N2O4/c1-20(2)29(19-24-18-28-17-23(24)15-21-9-6-5-7-10-21)27(30)22-11-12-25(32-4)26(16-22)33-14-8-13-31-3/h5-7,9-12,16,20,23-24,28H,8,13-15,17-19H2,1-4H3/t23-,24+/m1/s1
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n/an/a 450n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin expressed in CHO cells using RE(EDANS)IHPFHLVIHTK(Dabcyl)R as substrate incubated for 1 hr prior to substrate a...

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50427564
PNG
(CHEMBL2322611)
Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C27H38N2O4/c1-20(2)29(19-24-18-28-17-23(24)15-21-9-6-5-7-10-21)27(30)22-11-12-25(32-4)26(16-22)33-14-8-13-31-3/h5-7,9-12,16,20,23-24,28H,8,13-15,17-19H2,1-4H3/t23-,24+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of 5-HT2A (unknown origin)

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50427564
PNG
(CHEMBL2322611)
Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C27H38N2O4/c1-20(2)29(19-24-18-28-17-23(24)15-21-9-6-5-7-10-21)27(30)22-11-12-25(32-4)26(16-22)33-14-8-13-31-3/h5-7,9-12,16,20,23-24,28H,8,13-15,17-19H2,1-4H3/t23-,24+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of 5-HT1A (unknown origin)

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50427564
PNG
(CHEMBL2322611)
Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C27H38N2O4/c1-20(2)29(19-24-18-28-17-23(24)15-21-9-6-5-7-10-21)27(30)22-11-12-25(32-4)26(16-22)33-14-8-13-31-3/h5-7,9-12,16,20,23-24,28H,8,13-15,17-19H2,1-4H3/t23-,24+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of 5-HT2B (unknown origin)

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50427568
PNG
(CHEMBL2322608)
Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(CC1CNCC1Cc1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H35ClN2O4/c1-35-15-6-16-37-29-18-23(9-14-28(29)36-2)30(34)33(27-12-10-26(31)11-13-27)21-25-20-32-19-24(25)17-22-7-4-3-5-8-22/h3-5,7-14,18,24-25,32H,6,15-17,19-21H2,1-2H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin expressed in CHO cells using RE(EDANS)IHPFHLVIHTK(Dabcyl)R as substrate incubated for 1 hr prior to substrate a...

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50427567
PNG
(CHEMBL2322609)
Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(CC1CNCC1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H36N2O4/c1-34-16-9-17-36-29-19-24(14-15-28(29)35-2)30(33)32(27-12-7-4-8-13-27)22-26-21-31-20-25(26)18-23-10-5-3-6-11-23/h3-8,10-15,19,25-26,31H,9,16-18,20-22H2,1-2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin expressed in CHO cells using RE(EDANS)IHPFHLVIHTK(Dabcyl)R as substrate incubated for 1 hr prior to substrate a...

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50427566
PNG
(CHEMBL2322894)
Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@H]1CNC[C@@H]1Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C27H38N2O4/c1-20(2)29(19-24-18-28-17-23(24)15-21-9-6-5-7-10-21)27(30)22-11-12-25(32-4)26(16-22)33-14-8-13-31-3/h5-7,9-12,16,20,23-24,28H,8,13-15,17-19H2,1-4H3/t23-,24+/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin expressed in CHO cells using RE(EDANS)IHPFHLVIHTK(Dabcyl)R as substrate incubated for 1 hr prior to substrate a...

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50427571
PNG
(CHEMBL2322605)
Show SMILES Clc1ccc(cc1)N(CC1CNCC1Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C25H27ClN2/c26-24-11-13-25(14-12-24)28(18-21-9-5-2-6-10-21)19-23-17-27-16-22(23)15-20-7-3-1-4-8-20/h1-14,22-23,27H,15-19H2
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n/an/a 4.10E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin expressed in CHO cells using RE(EDANS)IHPFHLVIHTK(Dabcyl)R as substrate incubated for 1 hr prior to substrate a...

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50427565
PNG
(CHEMBL2322896)
Show SMILES Clc1ccc(cc1)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H25ClN2/c25-22-11-13-24(14-12-22)27(23-9-5-2-6-10-23)18-21-17-26-16-20(21)15-19-7-3-1-4-8-19/h1-14,20-21,26H,15-18H2/t20-,21+/m1/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin expressed in CHO cells using RE(EDANS)IHPFHLVIHTK(Dabcyl)R as substrate incubated for 1 hr prior to substrate a...

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Renin


(Homo sapiens (Human))		BDBM50427569
PNG
(CHEMBL2322607)
Show SMILES COCCCOc1cc(CN(CC2CNCC2Cc2ccccc2)C(C)C)ccc1OC
Show InChI InChI=1S/C27H40N2O3/c1-21(2)29(20-25-18-28-17-24(25)15-22-9-6-5-7-10-22)19-23-11-12-26(31-4)27(16-23)32-14-8-13-30-3/h5-7,9-12,16,21,24-25,28H,8,13-15,17-20H2,1-4H3
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n/an/a 7.70E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin expressed in CHO cells using RE(EDANS)IHPFHLVIHTK(Dabcyl)R as substrate incubated for 1 hr prior to substrate a...

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50427570
PNG
(CHEMBL2322606)
Show SMILES COCCCOc1cc(CN(CC2CNCC2Cc2ccccc2)c2ccc(Cl)cc2)ccc1OC
Show InChI InChI=1S/C30H37ClN2O3/c1-34-15-6-16-36-30-18-24(9-14-29(30)35-2)21-33(28-12-10-27(31)11-13-28)22-26-20-32-19-25(26)17-23-7-4-3-5-8-23/h3-5,7-14,18,25-26,32H,6,15-17,19-22H2,1-2H3
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n/an/a 9.80E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin expressed in CHO cells using RE(EDANS)IHPFHLVIHTK(Dabcyl)R as substrate incubated for 1 hr prior to substrate a...

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50427565
PNG
(CHEMBL2322896)
Show SMILES Clc1ccc(cc1)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H25ClN2/c25-22-11-13-24(14-12-22)27(23-9-5-2-6-10-23)18-21-17-26-16-20(21)15-19-7-3-1-4-8-19/h1-14,20-21,26H,15-18H2/t20-,21+/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin-D expressed in baculovirus-infected insect sf9 cells using Ac- E-D(EDANS)-KPILFFRLG-K(Dabcyl)-E-Amid as sub...

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))		BDBM50427565
PNG
(CHEMBL2322896)
Show SMILES Clc1ccc(cc1)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H25ClN2/c25-22-11-13-24(14-12-22)27(23-9-5-2-6-10-23)18-21-17-26-16-20(21)15-19-7-3-1-4-8-19/h1-14,20-21,26H,15-18H2/t20-,21+/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin-E expressed in Escherichia coli using Ac- E-D(EDANS)-KPILFFRLG-K(Dabcyl)-E-Amid as substrate incubated for ...

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50427565
PNG
(CHEMBL2322896)
Show SMILES Clc1ccc(cc1)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H25ClN2/c25-22-11-13-24(14-12-22)27(23-9-5-2-6-10-23)18-21-17-26-16-20(21)15-19-7-3-1-4-8-19/h1-14,20-21,26H,15-18H2/t20-,21+/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin expressed in CHO cells using RE(EDANS)IHPFHLVIHTK(Dabcyl)R as substrate incubated for 1 hr prior to substrate a...

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50427564
PNG
(CHEMBL2322611)
Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C27H38N2O4/c1-20(2)29(19-24-18-28-17-23(24)15-21-9-6-5-7-10-21)27(30)22-11-12-25(32-4)26(16-22)33-14-8-13-31-3/h5-7,9-12,16,20,23-24,28H,8,13-15,17-19H2,1-4H3/t23-,24+/m1/s1
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n/an/a 1.45E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human ERG by dofetilide binding assay

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50427572
PNG
(CHEMBL2322897)
Show SMILES Clc1ccc(cc1)N(C[C@H]1CNC[C@@H]1Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H25ClN2/c25-22-11-13-24(14-12-22)27(23-9-5-2-6-10-23)18-21-17-26-16-20(21)15-19-7-3-1-4-8-19/h1-14,20-21,26H,15-18H2/t20-,21+/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin expressed in CHO cells using RE(EDANS)IHPFHLVIHTK(Dabcyl)R as substrate incubated for 1 hr prior to substrate a...

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair
Gastricsin


(Homo sapiens (Human))		BDBM50427565
PNG
(CHEMBL2322896)
Show SMILES Clc1ccc(cc1)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H25ClN2/c25-22-11-13-24(14-12-22)27(23-9-5-2-6-10-23)18-21-17-26-16-20(21)15-19-7-3-1-4-8-19/h1-14,20-21,26H,15-18H2/t20-,21+/m1/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant pepsin C expressed in Escherichia coli using Dabcyl-E-R-Nle-F-L-S-F-P-EDANS as substrate incubated for 1 hr prior to ...

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))		BDBM50427564
PNG
(CHEMBL2322611)
Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C27H38N2O4/c1-20(2)29(19-24-18-28-17-23(24)15-21-9-6-5-7-10-21)27(30)22-11-12-25(32-4)26(16-22)33-14-8-13-31-3/h5-7,9-12,16,20,23-24,28H,8,13-15,17-19H2,1-4H3/t23-,24+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin-E expressed in Escherichia coli using Ac- E-D(EDANS)-KPILFFRLG-K(Dabcyl)-E-Amid as substrate incubated for ...

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50427564
PNG
(CHEMBL2322611)
Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C27H38N2O4/c1-20(2)29(19-24-18-28-17-23(24)15-21-9-6-5-7-10-21)27(30)22-11-12-25(32-4)26(16-22)33-14-8-13-31-3/h5-7,9-12,16,20,23-24,28H,8,13-15,17-19H2,1-4H3/t23-,24+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE-1 expressed in baculovirus-infected insect sf9 cells using RE( EDANS)-EVNLDAEF-K(DABSYL)-R as substrate incubate...

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM50427564
PNG
(CHEMBL2322611)
Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C27H38N2O4/c1-20(2)29(19-24-18-28-17-23(24)15-21-9-6-5-7-10-21)27(30)22-11-12-25(32-4)26(16-22)33-14-8-13-31-3/h5-7,9-12,16,20,23-24,28H,8,13-15,17-19H2,1-4H3/t23-,24+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE-2 expressed in baculovirus-infected insect sf9 cells using RE( EDANS)-EVNLDAEF-K(DABSYL)-R as substrate incubate...

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50427564
PNG
(CHEMBL2322611)
Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C27H38N2O4/c1-20(2)29(19-24-18-28-17-23(24)15-21-9-6-5-7-10-21)27(30)22-11-12-25(32-4)26(16-22)33-14-8-13-31-3/h5-7,9-12,16,20,23-24,28H,8,13-15,17-19H2,1-4H3/t23-,24+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin-D expressed in baculovirus-infected insect sf9 cells using Ac- E-D(EDANS)-KPILFFRLG-K(Dabcyl)-E-Amid as sub...

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair
Gastricsin


(Homo sapiens (Human))		BDBM50427564
PNG
(CHEMBL2322611)
Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C27H38N2O4/c1-20(2)29(19-24-18-28-17-23(24)15-21-9-6-5-7-10-21)27(30)22-11-12-25(32-4)26(16-22)33-14-8-13-31-3/h5-7,9-12,16,20,23-24,28H,8,13-15,17-19H2,1-4H3/t23-,24+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant pepsin C expressed in Escherichia coli using Dabcyl-E-R-Nle-F-L-S-F-P-EDANS as substrate incubated for 1 hr prior to ...

J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%