BindingDB logo
myBDB logout

PubMed code 15582452

Compile data set for download or QSAR
Found 10 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))
BDBM17951
PNG
((3S,4R)-4-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}...)
Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@H]1NCc1ccc2ccccc2c1
Show InChI InChI=1S/C33H38N2O3/c1-36-33-10-5-4-9-29(33)24-37-19-6-20-38-30-15-13-27(14-16-30)31-17-18-34-23-32(31)35-22-25-11-12-26-7-2-3-8-28(26)21-25/h2-5,7-16,21,31-32,34-35H,6,17-20,22-24H2,1H3/t31-,32-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 61n/an/an/an/a7.422



Pfizer



Assay Description
The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...


Bioorg Med Chem 13: 59-68 (2005)


Article DOI: 10.1016/j.bmc.2004.09.056
BindingDB Entry DOI: 10.7270/Q2QC01SN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM17952
PNG
((3S,4R)-N-[(6-methoxynaphthalen-2-yl)methyl]-4-(4-...)
Show SMILES COc1ccc2cc(CN[C@@H]3CNCC[C@@H]3c3ccc(OCCCOCc4ccccc4OC)cc3)ccc2c1
Show InChI InChI=1S/C34H40N2O4/c1-37-31-15-12-27-20-25(8-9-28(27)21-31)22-36-33-23-35-17-16-32(33)26-10-13-30(14-11-26)40-19-5-18-39-24-29-6-3-4-7-34(29)38-2/h3-4,6-15,20-21,32-33,35-36H,5,16-19,22-24H2,1-2H3/t32-,33-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 73n/an/an/an/a7.422



Pfizer



Assay Description
The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...


Bioorg Med Chem 13: 59-68 (2005)


Article DOI: 10.1016/j.bmc.2004.09.056
BindingDB Entry DOI: 10.7270/Q2QC01SN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM17953
PNG
((3S,4R)-4-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}...)
Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@H]1NCc1ccc2cccnc2c1
Show InChI InChI=1S/C32H37N3O3/c1-36-32-8-3-2-6-27(32)23-37-18-5-19-38-28-13-11-25(12-14-28)29-15-17-33-22-31(29)35-21-24-9-10-26-7-4-16-34-30(26)20-24/h2-4,6-14,16,20,29,31,33,35H,5,15,17-19,21-23H2,1H3/t29-,31-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 175n/an/an/an/a7.422



Pfizer



Assay Description
The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...


Bioorg Med Chem 13: 59-68 (2005)


Article DOI: 10.1016/j.bmc.2004.09.056
BindingDB Entry DOI: 10.7270/Q2QC01SN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM17954
PNG
((3S,4R)-4-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}...)
Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@H]1NCc1ccc2CCCNc2c1
Show InChI InChI=1S/C32H41N3O3/c1-36-32-8-3-2-6-27(32)23-37-18-5-19-38-28-13-11-25(12-14-28)29-15-17-33-22-31(29)35-21-24-9-10-26-7-4-16-34-30(26)20-24/h2-3,6,8-14,20,29,31,33-35H,4-5,7,15-19,21-23H2,1H3/t29-,31-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 255n/an/an/an/a7.422



Pfizer



Assay Description
The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...


Bioorg Med Chem 13: 59-68 (2005)


Article DOI: 10.1016/j.bmc.2004.09.056
BindingDB Entry DOI: 10.7270/Q2QC01SN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM17955
PNG
(amino-aryl-piperidine-based compound, 20 | methyl ...)
Show SMILES COC(=O)c1cccc2cc(CN[C@@H]3CNCC[C@@H]3c3ccc(OCCCOCc4ccccc4OC)cc3)ccc12
Show InChI InChI=1S/C35H40N2O5/c1-39-34-10-4-3-7-28(34)24-41-19-6-20-42-29-14-12-26(13-15-29)31-17-18-36-23-33(31)37-22-25-11-16-30-27(21-25)8-5-9-32(30)35(38)40-2/h3-5,7-16,21,31,33,36-37H,6,17-20,22-24H2,1-2H3/t31-,33-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 282n/an/an/an/a7.422



Pfizer



Assay Description
The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...


Bioorg Med Chem 13: 59-68 (2005)


Article DOI: 10.1016/j.bmc.2004.09.056
BindingDB Entry DOI: 10.7270/Q2QC01SN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM17956
PNG
((3S,4R)-N-(1-benzofuran-5-ylmethyl)-4-(4-{3-[(2-me...)
Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@H]1NCc1ccc2occc2c1
Show InChI InChI=1S/C31H36N2O4/c1-34-30-6-3-2-5-26(30)22-35-16-4-17-36-27-10-8-24(9-11-27)28-13-15-32-21-29(28)33-20-23-7-12-31-25(19-23)14-18-37-31/h2-3,5-12,14,18-19,28-29,32-33H,4,13,15-17,20-22H2,1H3/t28-,29-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 393n/an/an/an/a7.422



Pfizer



Assay Description
The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...


Bioorg Med Chem 13: 59-68 (2005)


Article DOI: 10.1016/j.bmc.2004.09.056
BindingDB Entry DOI: 10.7270/Q2QC01SN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM17957
PNG
((3S,4R)-N-(1H-indol-5-ylmethyl)-4-(4-{3-[(2-methox...)
Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@H]1NCc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C31H37N3O3/c1-35-31-6-3-2-5-26(31)22-36-17-4-18-37-27-10-8-24(9-11-27)28-14-15-32-21-30(28)34-20-23-7-12-29-25(19-23)13-16-33-29/h2-3,5-13,16,19,28,30,32-34H,4,14-15,17-18,20-22H2,1H3/t28-,30-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.28E+3n/an/an/an/a7.422



Pfizer



Assay Description
The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...


Bioorg Med Chem 13: 59-68 (2005)


Article DOI: 10.1016/j.bmc.2004.09.056
BindingDB Entry DOI: 10.7270/Q2QC01SN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM17958
PNG
(6-({[(3S,4R)-4-(4-{3-[(2-methoxyphenyl)methoxy]pro...)
Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@H]1NCc1ccc2c(cccc2c1)C(O)=O
Show InChI InChI=1S/C34H38N2O5/c1-39-33-9-3-2-6-27(33)23-40-18-5-19-41-28-13-11-25(12-14-28)30-16-17-35-22-32(30)36-21-24-10-15-29-26(20-24)7-4-8-31(29)34(37)38/h2-4,6-15,20,30,32,35-36H,5,16-19,21-23H2,1H3,(H,37,38)/t30-,32-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.60E+3n/an/an/an/a7.422



Pfizer



Assay Description
The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...


Bioorg Med Chem 13: 59-68 (2005)


Article DOI: 10.1016/j.bmc.2004.09.056
BindingDB Entry DOI: 10.7270/Q2QC01SN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM17959
PNG
(N-[(3S,4R)-4-(4-{3-[(2-methoxyphenyl)methoxy]propo...)
Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@H]1NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C33H36N2O4/c1-37-32-10-5-4-9-28(32)23-38-19-6-20-39-29-15-13-25(14-16-29)30-17-18-34-22-31(30)35-33(36)27-12-11-24-7-2-3-8-26(24)21-27/h2-5,7-16,21,30-31,34H,6,17-20,22-23H2,1H3,(H,35,36)/t30-,31-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.422



Pfizer



Assay Description
The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...


Bioorg Med Chem 13: 59-68 (2005)


Article DOI: 10.1016/j.bmc.2004.09.056
BindingDB Entry DOI: 10.7270/Q2QC01SN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM17960
PNG
((3S,4R)-4-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}...)
Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@H]1NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C35H40N2O3/c1-38-35-11-6-5-10-31(35)26-39-22-7-23-40-32-18-16-30(17-19-32)33-20-21-36-25-34(33)37-24-27-12-14-29(15-13-27)28-8-3-2-4-9-28/h2-6,8-19,33-34,36-37H,7,20-26H2,1H3/t33-,34-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.422



Pfizer



Assay Description
The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...


Bioorg Med Chem 13: 59-68 (2005)


Article DOI: 10.1016/j.bmc.2004.09.056
BindingDB Entry DOI: 10.7270/Q2QC01SN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%