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BDBM50327284 3-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)phenyl)-2-(2',3-dichlorobiphenyl-4-yl)propan-1-amine::CHEMBL1257460

SMILES: Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(cc3Cl)-c3ccccc3Cl)cc2)c(Cl)c1

InChI Key: InChIKey=POUSUTIZRYXQHT-UHFFFAOYSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50327284   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Renin


(Homo sapiens (Human))
BDBM50327284
PNG
(3-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)pheny...)
Show SMILES Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(cc3Cl)-c3ccccc3Cl)cc2)c(Cl)c1
Show InChI InChI=1S/C30H27Cl4NO2/c1-19-14-28(33)30(29(34)15-19)37-13-12-36-23-9-6-20(7-10-23)16-22(18-35)25-11-8-21(17-27(25)32)24-4-2-3-5-26(24)31/h2-11,14-15,17,22H,12-13,16,18,35H2,1H3
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PC cid
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Similars

Article
PubMed
n/an/a 764n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin in plasma


Bioorg Med Chem Lett 20: 5822-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50327284
PNG
(3-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)pheny...)
Show SMILES Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(cc3Cl)-c3ccccc3Cl)cc2)c(Cl)c1
Show InChI InChI=1S/C30H27Cl4NO2/c1-19-14-28(33)30(29(34)15-19)37-13-12-36-23-9-6-20(7-10-23)16-22(18-35)25-11-8-21(17-27(25)32)24-4-2-3-5-26(24)31/h2-11,14-15,17,22H,12-13,16,18,35H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 0.520n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin in phosphate buffer


Bioorg Med Chem Lett 20: 5822-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP
More data for this
Ligand-Target Pair