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Compile Data Set for Download or QSAR

Found 148 hits of ph data with Target = 'Renin'   
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))
BDBM29927
PNG
(piperidine-1-carboxamide | piperidine-1-carboxamid...)
Show SMILES COCCCO[C@H]([C@@H]1CCCN(C1)C(=O)N[C@H](CN)CC1CCCCC1)c1ccccc1
Show InChI InChI=1S/C26H43N3O3/c1-31-16-9-17-32-25(22-12-6-3-7-13-22)23-14-8-15-29(20-23)26(30)28-24(19-27)18-21-10-4-2-5-11-21/h3,6-7,12-13,21,23-25H,2,4-5,8-11,14-20,27H2,1H3,(H,28,30)/t23-,24+,25+/m1/s1
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n/an/a 308n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM29950
PNG
(piperidine-1-carboxamide, 21m)
Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCCOC)c1cccc(Br)c1
Show InChI InChI=1S/C28H46BrN3O3/c1-30-20-26(18-22-10-4-3-5-11-22)31-27(33)32-16-9-13-24(21-32)28(34,15-6-7-17-35-2)23-12-8-14-25(29)19-23/h8,12,14,19,22,24,26,30,34H,3-7,9-11,13,15-18,20-21H2,1-2H3,(H,31,33)/t24-,26+,28-/m1/s1
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n/an/a 0.130n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM29929
PNG
(piperidine-1-carboxamide, 7c)
Show SMILES CCOCCCO[C@H]([C@@H]1CCCN(C1)C(=O)N[C@H](CN)CC1CCCCC1)c1cccc(Cl)c1
Show InChI InChI=1S/C27H44ClN3O3/c1-2-33-15-8-16-34-26(22-11-6-13-24(28)18-22)23-12-7-14-31(20-23)27(32)30-25(19-29)17-21-9-4-3-5-10-21/h6,11,13,18,21,23,25-26H,2-5,7-10,12,14-17,19-20,29H2,1H3,(H,30,32)/t23-,25+,26+/m1/s1
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n/an/a 5.5n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM29930
PNG
(piperidine-1-carboxamide, 7d)
Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCCO)c1cccc(Cl)c1
Show InChI InChI=1S/C26H42ClN3O3/c1-28-18-24(16-20-8-3-2-4-9-20)29-26(32)30-13-6-11-22(19-30)25(33-15-7-14-31)21-10-5-12-23(27)17-21/h5,10,12,17,20,22,24-25,28,31H,2-4,6-9,11,13-16,18-19H2,1H3,(H,29,32)/t22-,24+,25+/m1/s1
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n/an/a 764n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM29931
PNG
(piperidine-1-carboxamide, 7e)
Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCCOC)c1cccc(F)c1
Show InChI InChI=1S/C27H44FN3O3/c1-29-19-25(17-21-9-4-3-5-10-21)30-27(32)31-14-7-12-23(20-31)26(34-16-8-15-33-2)22-11-6-13-24(28)18-22/h6,11,13,18,21,23,25-26,29H,3-5,7-10,12,14-17,19-20H2,1-2H3,(H,30,32)/t23-,25+,26+/m1/s1
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n/an/a 58n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM29932
PNG
(piperidine-1-carboxamide, 7f)
Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCCOC)c1cccc(Cl)c1F
Show InChI InChI=1S/C27H43ClFN3O3/c1-30-18-22(17-20-9-4-3-5-10-20)31-27(33)32-14-7-11-21(19-32)26(35-16-8-15-34-2)23-12-6-13-24(28)25(23)29/h6,12-13,20-22,26,30H,3-5,7-11,14-19H2,1-2H3,(H,31,33)/t21-,22+,26-/m1/s1
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n/an/a 39n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM29933
PNG
(piperidine-1-carboxamide, 7g)
Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCCOC)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C27H43Cl2N3O3/c1-30-18-22(17-20-9-4-3-5-10-20)31-27(33)32-14-7-11-21(19-32)26(35-16-8-15-34-2)23-12-6-13-24(28)25(23)29/h6,12-13,20-22,26,30H,3-5,7-11,14-19H2,1-2H3,(H,31,33)/t21-,22+,26-/m1/s1
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n/an/a 609n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM29934
PNG
(piperidine-1-carboxamide, 7h)
Show SMILES CCOCCCO[C@H]([C@@H]1CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)c1ccccc1
Show InChI InChI=1S/C28H47N3O3/c1-3-33-18-11-19-34-27(24-14-8-5-9-15-24)25-16-10-17-31(22-25)28(32)30-26(21-29-2)20-23-12-6-4-7-13-23/h5,8-9,14-15,23,25-27,29H,3-4,6-7,10-13,16-22H2,1-2H3,(H,30,32)/t25-,26+,27+/m1/s1
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n/an/a 40n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM29935
PNG
(piperidine-1-carboxamide, 7i)
Show SMILES CCOCCCO[C@H]([C@@H]1CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)c1cccc(Cl)c1
Show InChI InChI=1S/C28H46ClN3O3/c1-3-34-16-9-17-35-27(23-12-7-14-25(29)19-23)24-13-8-15-32(21-24)28(33)31-26(20-30-2)18-22-10-5-4-6-11-22/h7,12,14,19,22,24,26-27,30H,3-6,8-11,13,15-18,20-21H2,1-2H3,(H,31,33)/t24-,26+,27+/m1/s1
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n/an/a 4n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM29936
PNG
(piperidine-1-carboxamide, 7j)
Show SMILES CCOCCCO[C@H]([C@@H]1CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)c1cccc(F)c1
Show InChI InChI=1S/C28H46FN3O3/c1-3-34-16-9-17-35-27(23-12-7-14-25(29)19-23)24-13-8-15-32(21-24)28(33)31-26(20-30-2)18-22-10-5-4-6-11-22/h7,12,14,19,22,24,26-27,30H,3-6,8-11,13,15-18,20-21H2,1-2H3,(H,31,33)/t24-,26+,27+/m1/s1
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n/an/a 11n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM29937
PNG
(piperidine-1-carboxamide, 7k)
Show SMILES CCOCCCO[C@H]([C@@H]1CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C28H45Cl2N3O3/c1-3-35-16-9-17-36-27(24-13-7-14-25(29)26(24)30)22-12-8-15-33(20-22)28(34)32-23(19-31-2)18-21-10-5-4-6-11-21/h7,13-14,21-23,27,31H,3-6,8-12,15-20H2,1-2H3,(H,32,34)/t22-,23+,27-/m1/s1
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n/an/a 125n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM29938
PNG
(piperidine-1-carboxamide, 21a)
Show SMILES CCOCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)N[C@H](CN)CC1CCCCC1)c1ccccc1
Show InChI InChI=1S/C28H47N3O3/c1-2-34-19-10-9-17-28(33,24-14-7-4-8-15-24)25-16-11-18-31(22-25)27(32)30-26(21-29)20-23-12-5-3-6-13-23/h4,7-8,14-15,23,25-26,33H,2-3,5-6,9-13,16-22,29H2,1H3,(H,30,32)/t25-,26+,28-/m1/s1
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n/an/a 38n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM29939
PNG
(piperidine-1-carboxamide, 21b)
Show SMILES COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)N[C@H](CN)CC1CCCCC1)c1ccccc1
Show InChI InChI=1S/C27H45N3O3/c1-33-18-9-8-16-27(32,23-13-6-3-7-14-23)24-15-10-17-30(21-24)26(31)29-25(20-28)19-22-11-4-2-5-12-22/h3,6-7,13-14,22,24-25,32H,2,4-5,8-12,15-21,28H2,1H3,(H,29,31)/t24-,25+,27-/m1/s1
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n/an/a 21n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM29940
PNG
(piperidine-1-carboxamide, 21c)
Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCCO)c1cccc(Cl)c1
Show InChI InChI=1S/C27H44ClN3O3/c1-29-19-25(17-21-9-3-2-4-10-21)30-26(33)31-15-8-12-23(20-31)27(34,14-5-6-16-32)22-11-7-13-24(28)18-22/h7,11,13,18,21,23,25,29,32,34H,2-6,8-10,12,14-17,19-20H2,1H3,(H,30,33)/t23-,25+,27-/m1/s1
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n/an/a 21n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM29941
PNG
(piperidine-1-carboxamide, 21d)
Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCCOC)c1ccccc1
Show InChI InChI=1S/C28H47N3O3/c1-29-21-26(20-23-12-5-3-6-13-23)30-27(32)31-18-11-16-25(22-31)28(33,17-9-10-19-34-2)24-14-7-4-8-15-24/h4,7-8,14-15,23,25-26,29,33H,3,5-6,9-13,16-22H2,1-2H3,(H,30,32)/t25-,26+,28-/m1/s1
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n/an/a 7n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM29942
PNG
(piperidine-1-carboxamide, 21e)
Show SMILES CCOCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)c1ccccc1
Show InChI InChI=1S/C29H49N3O3/c1-3-35-20-11-10-18-29(34,25-15-8-5-9-16-25)26-17-12-19-32(23-26)28(33)31-27(22-30-2)21-24-13-6-4-7-14-24/h5,8-9,15-16,24,26-27,30,34H,3-4,6-7,10-14,17-23H2,1-2H3,(H,31,33)/t26-,27+,29-/m1/s1
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n/an/a 16n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM29943
PNG
(piperidine-1-carboxamide, 21f)
Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCCOC)c1ccccc1Cl
Show InChI InChI=1S/C28H46ClN3O3/c1-30-20-24(19-22-11-4-3-5-12-22)31-27(33)32-17-10-13-23(21-32)28(34,16-8-9-18-35-2)25-14-6-7-15-26(25)29/h6-7,14-15,22-24,30,34H,3-5,8-13,16-21H2,1-2H3,(H,31,33)/t23-,24+,28+/m1/s1
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n/an/a 7n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM29944
PNG
(piperidine-1-carboxamide, 21g)
Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCCOC)c1ccccc1F
Show InChI InChI=1S/C28H46FN3O3/c1-30-20-24(19-22-11-4-3-5-12-22)31-27(33)32-17-10-13-23(21-32)28(34,16-8-9-18-35-2)25-14-6-7-15-26(25)29/h6-7,14-15,22-24,30,34H,3-5,8-13,16-21H2,1-2H3,(H,31,33)/t23-,24+,28+/m1/s1
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n/an/a 4n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM29945
PNG
(piperidine-1-carboxamide, 21h)
Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCCOC)c1cccc(C)c1
Show InChI InChI=1S/C29H49N3O3/c1-23-11-9-14-25(19-23)29(34,16-7-8-18-35-3)26-15-10-17-32(22-26)28(33)31-27(21-30-2)20-24-12-5-4-6-13-24/h9,11,14,19,24,26-27,30,34H,4-8,10,12-13,15-18,20-22H2,1-3H3,(H,31,33)/t26-,27+,29-/m1/s1
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n/an/a 2.5n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM29946
PNG
(piperidine-1-carboxamide, 21i)
Show SMILES CCc1cccc(c1)[C@](O)(CCCCOC)[C@@H]1CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1
Show InChI InChI=1S/C30H51N3O3/c1-4-24-14-10-15-26(20-24)30(35,17-8-9-19-36-3)27-16-11-18-33(23-27)29(34)32-28(22-31-2)21-25-12-6-5-7-13-25/h10,14-15,20,25,27-28,31,35H,4-9,11-13,16-19,21-23H2,1-3H3,(H,32,34)/t27-,28+,30-/m1/s1
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n/an/a 9n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM29947
PNG
(piperidine-1-carboxamide, 21j)
Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCCOC)c1cccc(OC)c1
Show InChI InChI=1S/C29H49N3O4/c1-30-21-26(19-23-11-5-4-6-12-23)31-28(33)32-17-10-14-25(22-32)29(34,16-7-8-18-35-2)24-13-9-15-27(20-24)36-3/h9,13,15,20,23,25-26,30,34H,4-8,10-12,14,16-19,21-22H2,1-3H3,(H,31,33)/t25-,26+,29-/m1/s1
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n/an/a 13n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM29948
PNG
(piperidine-1-carboxamide, 21k)
Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCCOC)c1cccc(F)c1
Show InChI InChI=1S/C28H46FN3O3/c1-30-20-26(18-22-10-4-3-5-11-22)31-27(33)32-16-9-13-24(21-32)28(34,15-6-7-17-35-2)23-12-8-14-25(29)19-23/h8,12,14,19,22,24,26,30,34H,3-7,9-11,13,15-18,20-21H2,1-2H3,(H,31,33)/t24-,26+,28-/m1/s1
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n/an/a 3n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM29949
PNG
(piperidine-1-carboxamide, 21l)
Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCCOC)c1cccc(Cl)c1
Show InChI InChI=1S/C28H46ClN3O3/c1-30-20-26(18-22-10-4-3-5-11-22)31-27(33)32-16-9-13-24(21-32)28(34,15-6-7-17-35-2)23-12-8-14-25(29)19-23/h8,12,14,19,22,24,26,30,34H,3-7,9-11,13,15-18,20-21H2,1-2H3,(H,31,33)/t24-,26+,28-/m1/s1
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n/an/a 0.470n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Homo sapiens (human))
BDBM29928
PNG
(piperidine-1-carboxamide, 7b)
Show SMILES CCOCCCO[C@H]([C@@H]1CCCN(C1)C(=O)N[C@H](CN)CC1CCCCC1)c1ccccc1
Show InChI InChI=1S/C27H45N3O3/c1-2-32-17-10-18-33-26(23-13-7-4-8-14-23)24-15-9-16-30(21-24)27(31)29-25(20-28)19-22-11-5-3-6-12-22/h4,7-8,13-14,22,24-26H,2-3,5-6,9-12,15-21,28H2,1H3,(H,29,31)/t24-,25+,26+/m1/s1
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n/an/a 55n/an/an/an/a7.022



Vitae Pharmaceuticals



Assay Description
The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...


Bioorg Med Chem Lett 19: 3541-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.140
BindingDB Entry DOI: 10.7270/Q2D21VXV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM17941
PNG
((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30-,32+,33+,34+,35+/m1/s1
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n/an/a 1n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Homo sapiens (human))
BDBM18336
PNG
((2S,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...)
Show SMILES CNC(=O)[C@H](C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C
Show InChI InChI=1S/C30H53N3O6/c1-19(2)23(14-22-10-11-27(38-8)28(15-22)39-13-9-12-37-7)16-25(31)26(34)17-24(20(3)4)30(36)33-18-21(5)29(35)32-6/h10-11,15,19-21,23-26,34H,9,12-14,16-18,31H2,1-8H3,(H,32,35)(H,33,36)/t21-,23+,24+,25+,26+/m1/s1
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n/an/a 0.900n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...


J Med Chem 50: 4832-44 (2007)


Article DOI: 10.1021/jm070316i
BindingDB Entry DOI: 10.7270/Q2GQ6W1P
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM17943
PNG
(Renin nonpeptide inhibitor, 3 | methyl (3S)-1-[(5S...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@H](Cc2ccccc12)C(=O)OC
Show InChI InChI=1S/C27H43N3O5/c1-6-7-12-29-25(33)18(2)13-23(31)21(28)15-27(3,4)16-24(32)30-17-20(26(34)35-5)14-19-10-8-9-11-22(19)30/h8-11,18,20-21,23,31H,6-7,12-17,28H2,1-5H3,(H,29,33)/t18-,20+,21+,23+/m1/s1
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n/an/a 0.800n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM17944
PNG
(Renin nonpeptide inhibitor, 4 | methyl N-[(3R)-1-[...)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@@H](Cc2ccccc12)NC(=O)OC)C(C)C
Show InChI InChI=1S/C29H48N4O5/c1-7-8-13-31-27(36)22(19(2)3)15-25(34)23(30)16-29(4,5)17-26(35)33-18-21(32-28(37)38-6)14-20-11-9-10-12-24(20)33/h9-12,19,21-23,25,34H,7-8,13-18,30H2,1-6H3,(H,31,36)(H,32,37)/t21-,22+,23+,25+/m1/s1
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n/an/a 0.5n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM17945
PNG
((2S,4S,5S)-5-amino-N-butyl-4-hydroxy-9-[(2S)-2-[(m...)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@@H](COCOC)Oc2ccccc12)C(C)C
Show InChI InChI=1S/C29H49N3O6/c1-7-8-13-31-28(35)22(20(2)3)14-25(33)23(30)15-29(4,5)16-27(34)32-17-21(18-37-19-36-6)38-26-12-10-9-11-24(26)32/h9-12,20-23,25,33H,7-8,13-19,30H2,1-6H3,(H,31,35)/t21-,22-,23-,25-/m0/s1
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n/an/a 0.100n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM17946
PNG
((2S,4S,7R)-4-amino-7-(butylcarbamoyl)-5-hydroxy-2,...)
Show SMILES CCCCNC(=O)[C@H](C)CC(O)[C@@H](N)C[C@H](C)COC(=O)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C30H41N3O4/c1-4-5-15-32-29(35)22(3)17-28(34)26(31)16-21(2)20-37-30(36)25-19-33(18-23-11-7-6-8-12-23)27-14-10-9-13-24(25)27/h6-14,19,21-22,26,28,34H,4-5,15-18,20,31H2,1-3H3,(H,32,35)/t21-,22+,26-,28?/m0/s1
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n/an/a 3n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Homo sapiens (human))
BDBM17947
PNG
((2R,4S,5S,7R)-5-amino-N-butyl-4-hydroxy-8-{[2-(3-m...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@@H](C)CNC(=O)c1ccccc1OCCCOC
Show InChI InChI=1S/C25H43N3O5/c1-5-6-12-27-24(30)19(3)16-22(29)21(26)15-18(2)17-28-25(31)20-10-7-8-11-23(20)33-14-9-13-32-4/h7-8,10-11,18-19,21-22,29H,5-6,9,12-17,26H2,1-4H3,(H,27,30)(H,28,31)/t18-,19-,21+,22+/m1/s1
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n/an/a 22n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Homo sapiens (human))
BDBM17948
PNG
((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-({[2-(3-...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](CNC(=O)c1ccccc1OCCCOC)C(C)C
Show InChI InChI=1S/C27H47N3O5/c1-6-7-13-29-26(32)20(4)16-24(31)23(28)17-21(19(2)3)18-30-27(33)22-11-8-9-12-25(22)35-15-10-14-34-5/h8-9,11-12,19-21,23-24,31H,6-7,10,13-18,28H2,1-5H3,(H,29,32)(H,30,33)/t20-,21-,23+,24+/m1/s1
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n/an/a 0.900n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Homo sapiens (human))
BDBM17949
PNG
((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[4-meth...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C
Show InChI InChI=1S/C27H48N2O5/c1-7-8-12-29-27(31)20(4)15-24(30)23(28)18-22(19(2)3)16-21-10-11-25(33-6)26(17-21)34-14-9-13-32-5/h10-11,17,19-20,22-24,30H,7-9,12-16,18,28H2,1-6H3,(H,29,31)/t20-,22+,23+,24+/m1/s1
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n/an/a 0.400n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Homo sapiens (human))
BDBM17950
PNG
((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC
Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1
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n/an/a 0.600n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Homo sapiens (human))
BDBM18269
PNG
(8-phenyl-octanecarboxamide peptidomimetic, 27 | me...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(c(OCC(=O)OC)c1)C(C)(C)C)C(C)C
Show InChI InChI=1S/C29H50N2O5/c1-9-10-13-31-28(34)20(4)14-25(32)24(30)17-22(19(2)3)15-21-11-12-23(29(5,6)7)26(16-21)36-18-27(33)35-8/h11-12,16,19-20,22,24-25,32H,9-10,13-15,17-18,30H2,1-8H3,(H,31,34)/t20-,22+,24+,25+/m1/s1
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n/an/a 6n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...


J Med Chem 50: 4818-31 (2007)


Article DOI: 10.1021/jm070314y
BindingDB Entry DOI: 10.7270/Q2MG7MSF
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM18270
PNG
(8-phenyl-octanecarboxamide peptidomimetic, 28 | me...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCC(=O)OC)c1)C(C)C
Show InChI InChI=1S/C26H44N2O6/c1-7-8-11-28-26(31)18(4)12-22(29)21(27)15-20(17(2)3)13-19-9-10-23(32-5)24(14-19)34-16-25(30)33-6/h9-10,14,17-18,20-22,29H,7-8,11-13,15-16,27H2,1-6H3,(H,28,31)/t18-,20+,21+,22+/m1/s1
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n/an/a 4n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...


J Med Chem 50: 4818-31 (2007)


Article DOI: 10.1021/jm070314y
BindingDB Entry DOI: 10.7270/Q2MG7MSF
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM18271
PNG
((2R,4S,5S,7S)-5-amino-N-butyl-7-{[4-tert-butyl-3-(...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(c(OCC(N)=O)c1)C(C)(C)C)C(C)C
Show InChI InChI=1S/C28H49N3O4/c1-8-9-12-31-27(34)19(4)13-24(32)23(29)16-21(18(2)3)14-20-10-11-22(28(5,6)7)25(15-20)35-17-26(30)33/h10-11,15,18-19,21,23-24,32H,8-9,12-14,16-17,29H2,1-7H3,(H2,30,33)(H,31,34)/t19-,21+,23+,24+/m1/s1
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n/an/a 20n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...


J Med Chem 50: 4818-31 (2007)


Article DOI: 10.1021/jm070314y
BindingDB Entry DOI: 10.7270/Q2MG7MSF
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM18272
PNG
((2R,4S,5S,7S)-5-amino-N-butyl-7-{[3-(carbamoylmeth...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCC(N)=O)c1)C(C)C
Show InChI InChI=1S/C25H43N3O5/c1-6-7-10-28-25(31)17(4)11-21(29)20(26)14-19(16(2)3)12-18-8-9-22(32-5)23(13-18)33-15-24(27)30/h8-9,13,16-17,19-21,29H,6-7,10-12,14-15,26H2,1-5H3,(H2,27,30)(H,28,31)/t17-,19+,20+,21+/m1/s1
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n/an/a 92n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...


J Med Chem 50: 4818-31 (2007)


Article DOI: 10.1021/jm070314y
BindingDB Entry DOI: 10.7270/Q2MG7MSF
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM18273
PNG
((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-({4-meth...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCC(=O)NC)c1)C(C)C
Show InChI InChI=1S/C26H45N3O5/c1-7-8-11-29-26(32)18(4)12-22(30)21(27)15-20(17(2)3)13-19-9-10-23(33-6)24(14-19)34-16-25(31)28-5/h9-10,14,17-18,20-22,30H,7-8,11-13,15-16,27H2,1-6H3,(H,28,31)(H,29,32)/t18-,20+,21+,22+/m1/s1
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n/an/a 42n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...


J Med Chem 50: 4818-31 (2007)


Article DOI: 10.1021/jm070314y
BindingDB Entry DOI: 10.7270/Q2MG7MSF
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM18274
PNG
((2R,4S,5S,7S)-5-amino-N-butyl-7-{[4-tert-butyl-3-(...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(c(OCS(C)(=O)=O)c1)C(C)(C)C)C(C)C
Show InChI InChI=1S/C28H50N2O5S/c1-9-10-13-30-27(32)20(4)14-25(31)24(29)17-22(19(2)3)15-21-11-12-23(28(5,6)7)26(16-21)35-18-36(8,33)34/h11-12,16,19-20,22,24-25,31H,9-10,13-15,17-18,29H2,1-8H3,(H,30,32)/t20-,22+,24+,25+/m1/s1
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n/an/a 13n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...


J Med Chem 50: 4818-31 (2007)


Article DOI: 10.1021/jm070314y
BindingDB Entry DOI: 10.7270/Q2MG7MSF
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM18275
PNG
((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[3-(met...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCS(C)(=O)=O)c1)C(C)C
Show InChI InChI=1S/C25H44N2O6S/c1-7-8-11-27-25(29)18(4)12-22(28)21(26)15-20(17(2)3)13-19-9-10-23(32-5)24(14-19)33-16-34(6,30)31/h9-10,14,17-18,20-22,28H,7-8,11-13,15-16,26H2,1-6H3,(H,27,29)/t18-,20+,21+,22+/m1/s1
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n/an/a 50n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...


J Med Chem 50: 4818-31 (2007)


Article DOI: 10.1021/jm070314y
BindingDB Entry DOI: 10.7270/Q2MG7MSF
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM18276
PNG
((2R,4S,5S,7S)-5-amino-N-butyl-7-{[4-tert-butyl-3-(...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(c(OCc2ccncc2)c1)C(C)(C)C)C(C)C
Show InChI InChI=1S/C32H51N3O3/c1-8-9-14-35-31(37)23(4)17-29(36)28(33)20-26(22(2)3)18-25-10-11-27(32(5,6)7)30(19-25)38-21-24-12-15-34-16-13-24/h10-13,15-16,19,22-23,26,28-29,36H,8-9,14,17-18,20-21,33H2,1-7H3,(H,35,37)/t23-,26+,28+,29+/m1/s1
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n/an/a 26n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...


J Med Chem 50: 4818-31 (2007)


Article DOI: 10.1021/jm070314y
BindingDB Entry DOI: 10.7270/Q2MG7MSF
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM18277
PNG
((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[4-meth...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCc2ccncc2)c1)C(C)C
Show InChI InChI=1S/C29H45N3O4/c1-6-7-12-32-29(34)21(4)15-26(33)25(30)18-24(20(2)3)16-23-8-9-27(35-5)28(17-23)36-19-22-10-13-31-14-11-22/h8-11,13-14,17,20-21,24-26,33H,6-7,12,15-16,18-19,30H2,1-5H3,(H,32,34)/t21-,24+,25+,26+/m1/s1
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n/an/a 5n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...


J Med Chem 50: 4818-31 (2007)


Article DOI: 10.1021/jm070314y
BindingDB Entry DOI: 10.7270/Q2MG7MSF
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM18278
PNG
((2R,4S,5S,7S)-5-amino-7-{[3-(benzyloxy)-4-methoxyp...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCc2ccccc2)c1)C(C)C
Show InChI InChI=1S/C30H46N2O4/c1-6-7-15-32-30(34)22(4)16-27(33)26(31)19-25(21(2)3)17-24-13-14-28(35-5)29(18-24)36-20-23-11-9-8-10-12-23/h8-14,18,21-22,25-27,33H,6-7,15-17,19-20,31H2,1-5H3,(H,32,34)/t22-,25+,26+,27+/m1/s1
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n/an/a 0.600n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...


J Med Chem 50: 4818-31 (2007)


Article DOI: 10.1021/jm070314y
BindingDB Entry DOI: 10.7270/Q2MG7MSF
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM18279
PNG
((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[4-meth...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCOC)c1)C(C)C
Show InChI InChI=1S/C26H46N2O5/c1-7-8-11-28-26(30)19(4)14-23(29)22(27)17-21(18(2)3)15-20-9-10-24(32-6)25(16-20)33-13-12-31-5/h9-10,16,18-19,21-23,29H,7-8,11-15,17,27H2,1-6H3,(H,28,30)/t19-,21+,22+,23+/m1/s1
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n/an/a 11n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...


J Med Chem 50: 4818-31 (2007)


Article DOI: 10.1021/jm070314y
BindingDB Entry DOI: 10.7270/Q2MG7MSF
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM18280
PNG
((2R,4S,5S,7S)-5-amino-N-butyl-7-{[3-(2-ethoxyethox...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCOCC)c1)C(C)C
Show InChI InChI=1S/C27H48N2O5/c1-7-9-12-29-27(31)20(5)15-24(30)23(28)18-22(19(3)4)16-21-10-11-25(32-6)26(17-21)34-14-13-33-8-2/h10-11,17,19-20,22-24,30H,7-9,12-16,18,28H2,1-6H3,(H,29,31)/t20-,22+,23+,24+/m1/s1
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n/an/a 4n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...


J Med Chem 50: 4818-31 (2007)


Article DOI: 10.1021/jm070314y
BindingDB Entry DOI: 10.7270/Q2MG7MSF
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM17949
PNG
((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[4-meth...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C
Show InChI InChI=1S/C27H48N2O5/c1-7-8-12-29-27(31)20(4)15-24(30)23(28)18-22(19(2)3)16-21-10-11-25(33-6)26(17-21)34-14-9-13-32-5/h10-11,17,19-20,22-24,30H,7-9,12-16,18,28H2,1-6H3,(H,29,31)/t20-,22+,23+,24+/m1/s1
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n/an/a 1n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...


J Med Chem 50: 4818-31 (2007)


Article DOI: 10.1021/jm070314y
BindingDB Entry DOI: 10.7270/Q2MG7MSF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Homo sapiens (human))
BDBM18281
PNG
((2S,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[4-meth...)
Show SMILES CCCCNC(=O)[C@@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C
Show InChI InChI=1S/C27H48N2O5/c1-7-8-12-29-27(31)20(4)15-24(30)23(28)18-22(19(2)3)16-21-10-11-25(33-6)26(17-21)34-14-9-13-32-5/h10-11,17,19-20,22-24,30H,7-9,12-16,18,28H2,1-6H3,(H,29,31)/t20-,22-,23-,24-/m0/s1
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n/an/a 120n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...


J Med Chem 50: 4818-31 (2007)


Article DOI: 10.1021/jm070314y
BindingDB Entry DOI: 10.7270/Q2MG7MSF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM18282
PNG
((2R,4S,5S,7S)-5-amino-N-butyl-7-{[3-(3-ethoxypropo...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOCC)c1)C(C)C
Show InChI InChI=1S/C28H50N2O5/c1-7-9-13-30-28(32)21(5)16-25(31)24(29)19-23(20(3)4)17-22-11-12-26(33-6)27(18-22)35-15-10-14-34-8-2/h11-12,18,20-21,23-25,31H,7-10,13-17,19,29H2,1-6H3,(H,30,32)/t21-,23+,24+,25+/m1/s1
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n/an/a 3n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...


J Med Chem 50: 4818-31 (2007)


Article DOI: 10.1021/jm070314y
BindingDB Entry DOI: 10.7270/Q2MG7MSF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM18283
PNG
((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[3-(3-h...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCO)c1)C(C)C
Show InChI InChI=1S/C26H46N2O5/c1-6-7-11-28-26(31)19(4)14-23(30)22(27)17-21(18(2)3)15-20-9-10-24(32-5)25(16-20)33-13-8-12-29/h9-10,16,18-19,21-23,29-30H,6-8,11-15,17,27H2,1-5H3,(H,28,31)/t19-,21+,22+,23+/m1/s1
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Article
PubMed
n/an/a 6n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...


J Med Chem 50: 4818-31 (2007)


Article DOI: 10.1021/jm070314y
BindingDB Entry DOI: 10.7270/Q2MG7MSF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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