BindingDB logo
myBDB logout

PubMed code 19457666

Compile data set for download or QSAR
Found 34 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))		BDBM29957
PNG
(piperidine-1-carboxamide, 21t)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(Cl)c1F |r|
Show InChI InChI=1S/C28H45ClFN3O3/c1-31-19-23(18-21-10-4-3-5-11-21)32-27(34)33-16-9-12-22(20-33)28(35,15-6-7-17-36-2)24-13-8-14-25(29)26(24)30/h8,13-14,21-23,31,35H,3-7,9-12,15-20H2,1-2H3,(H,32,34)/t22-,23+,28+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 0.100n/an/an/an/an/a25



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))		BDBM29950
PNG
(piperidine-1-carboxamide, 21m)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(Br)c1 |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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))		BDBM29956
PNG
(piperidine-1-carboxamide, 21s)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(F)c1F |r|
Show InChI InChI=1S/C28H45F2N3O3/c1-31-19-23(18-21-10-4-3-5-11-21)32-27(34)33-16-9-12-22(20-33)28(35,15-6-7-17-36-2)24-13-8-14-25(29)26(24)30/h8,13-14,21-23,31,35H,3-7,9-12,15-20H2,1-2H3,(H,32,34)/t22-,23+,28+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 0.140n/an/an/an/an/a25



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 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(Cl)c1 |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
MMDB
PDB
Article
PubMed
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))		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 |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 0.5n/an/an/an/an/a25



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))		BDBM29959
PNG
(piperidine-1-carboxamide, 21v)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C28H45ClFN3O3/c1-31-19-26(15-21-9-4-3-5-10-21)32-27(34)33-13-8-11-22(20-33)28(35,12-6-7-14-36-2)23-16-24(29)18-25(30)17-23/h16-18,21-22,26,31,35H,3-15,19-20H2,1-2H3,(H,32,34)/t22-,26+,28+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 0.900n/an/an/an/an/a25



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))		BDBM29945
PNG
(piperidine-1-carboxamide, 21h)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(C)c1 |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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))		BDBM29948
PNG
(piperidine-1-carboxamide, 21k)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(F)c1 |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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))		BDBM29958
PNG
(piperidine-1-carboxamide, 21u)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cc(C)ccc1F |r|
Show InChI InChI=1S/C29H48FN3O3/c1-22-13-14-27(30)26(18-22)29(35,15-7-8-17-36-3)24-12-9-16-33(21-24)28(34)32-25(20-31-2)19-23-10-5-4-6-11-23/h13-14,18,23-25,31,35H,4-12,15-17,19-21H2,1-3H3,(H,32,34)/t24-,25+,29+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 3.5n/an/an/an/an/a25



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 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@H](OCCCOCC)c1cccc(Cl)c1 |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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))		BDBM29944
PNG
(piperidine-1-carboxamide, 21g)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1ccccc1F |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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))		BDBM29929
PNG
(piperidine-1-carboxamide, 7c)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CN)CC1CCCCC1)[C@@H](OCCCOCC)c1cccc(Cl)c1 |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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))		BDBM29954
PNG
(piperidine-1-carboxamide, 21q)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNCC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C29H48ClN3O3/c1-3-31-21-27(19-23-11-5-4-6-12-23)32-28(34)33-17-10-14-25(22-33)29(35,16-7-8-18-36-2)24-13-9-15-26(30)20-24/h9,13,15,20,23,25,27,31,35H,3-8,10-12,14,16-19,21-22H2,1-2H3,(H,32,34)/t25-,27+,29-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6n/an/an/an/an/a25



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 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1ccccc1 |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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))		BDBM29952
PNG
(piperidine-1-carboxamide, 21o)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C29H46F3N3O3/c1-33-20-26(18-22-10-4-3-5-11-22)34-27(36)35-16-9-14-25(21-35)28(37,15-6-7-17-38-2)23-12-8-13-24(19-23)29(30,31)32/h8,12-13,19,22,25-26,33,37H,3-7,9-11,14-18,20-21H2,1-2H3,(H,34,36)/t25-,26+,28-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 7n/an/an/an/an/a25



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 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1ccccc1Cl |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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))		BDBM29946
PNG
(piperidine-1-carboxamide, 21i)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(CC)c1 |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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))		BDBM29936
PNG
(piperidine-1-carboxamide, 7j)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@H](OCCCOCC)c1cccc(F)c1 |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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))		BDBM29947
PNG
(piperidine-1-carboxamide, 21j)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(OC)c1 |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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))		BDBM29942
PNG
(piperidine-1-carboxamide, 21e)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOCC)c1ccccc1 |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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))		BDBM29939
PNG
(piperidine-1-carboxamide, 21b)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CN)CC1CCCCC1)[C@@](O)(CCCCOC)c1ccccc1 |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCO)c1cccc(Cl)c1 |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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))		BDBM29951
PNG
(piperidine-1-carboxamide, 21n)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(c1)C#N |r|
Show InChI InChI=1S/C29H46N4O3/c1-31-21-27(19-23-10-4-3-5-11-23)32-28(34)33-16-9-14-26(22-33)29(35,15-6-7-17-36-2)25-13-8-12-24(18-25)20-30/h8,12-13,18,23,26-27,31,35H,3-7,9-11,14-17,19,21-22H2,1-2H3,(H,32,34)/t26-,27+,29-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 37n/an/an/an/an/a25



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 [H][C@]1(CCCN(C1)C(=O)N[C@H](CN)CC1CCCCC1)[C@@](O)(CCCCOCC)c1ccccc1 |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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))		BDBM29932
PNG
(piperidine-1-carboxamide, 7f)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@H](OCCCOC)c1cccc(Cl)c1F |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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))		BDBM29934
PNG
(piperidine-1-carboxamide, 7h)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@H](OCCCOCC)c1ccccc1 |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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))		BDBM29955
PNG
(piperidine-1-carboxamide, 21r)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNCC(F)(F)F)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C29H45ClF3N3O3/c1-39-16-6-5-14-28(38,23-11-7-13-25(30)18-23)24-12-8-15-36(20-24)27(37)35-26(19-34-21-29(31,32)33)17-22-9-3-2-4-10-22/h7,11,13,18,22,24,26,34,38H,2-6,8-10,12,14-17,19-21H2,1H3,(H,35,37)/t24-,26+,28-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 46n/an/an/an/an/a25



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))		BDBM29928
PNG
(piperidine-1-carboxamide, 7b)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CN)CC1CCCCC1)[C@@H](OCCCOCC)c1ccccc1 |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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))		BDBM29931
PNG
(piperidine-1-carboxamide, 7e)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@H](OCCCOC)c1cccc(F)c1 |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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))		BDBM29953
PNG
(piperidine-1-carboxamide, 21p)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C29H46F3N3O4/c1-33-20-25(18-22-10-4-3-5-11-22)34-27(36)35-16-9-13-24(21-35)28(37,15-6-7-17-38-2)23-12-8-14-26(19-23)39-29(30,31)32/h8,12,14,19,22,24-25,33,37H,3-7,9-11,13,15-18,20-21H2,1-2H3,(H,34,36)/t24-,25+,28-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 69n/an/an/an/an/a25



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 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@H](OCCCOCC)c1cccc(Cl)c1Cl |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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))		BDBM29927
PNG
(piperidine-1-carboxamide | piperidine-1-carboxamid...)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CN)CC1CCCCC1)[C@@H](OCCCOC)c1ccccc1 |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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))		BDBM29933
PNG
(piperidine-1-carboxamide, 7g)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@H](OCCCOC)c1cccc(Cl)c1Cl |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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))		BDBM29930
PNG
(piperidine-1-carboxamide, 7d)
Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@H](OCCCO)c1cccc(Cl)c1 |r|
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
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)
* indicates data uncertainty>20%