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BDBM50314655 3-amino-N-((5-chloro-2-(3-methoxypropyl)pyridin-4-yl)methyl)-N-cyclopropyl-2-(4-(3-(2,6-dichloro-4-methylphenoxy)propyl)benzyl)propanamide::CHEMBL1093935

SMILES: COCCCc1cc(CN(C2CC2)C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c(Cl)cn1

InChI Key: InChIKey=GZPYZOSKISZVND-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50314655   
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))
BDBM50314655
PNG
(3-amino-N-((5-chloro-2-(3-methoxypropyl)pyridin-4-...)
Show SMILES COCCCc1cc(CN(C2CC2)C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c(Cl)cn1
Show InChI InChI=1S/C33H40Cl3N3O3/c1-22-15-29(34)32(30(35)16-22)42-14-3-5-23-7-9-24(10-8-23)17-25(19-37)33(40)39(28-11-12-28)21-26-18-27(6-4-13-41-2)38-20-31(26)36/h7-10,15-16,18,20,25,28H,3-6,11-14,17,19,21,37H2,1-2H3
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.190n/an/an/an/a7.4n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin in PBS buffer at pH 7.4


Bioorg Med Chem Lett 20: 2204-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.036
BindingDB Entry DOI: 10.7270/Q2W37WGD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50314655
PNG
(3-amino-N-((5-chloro-2-(3-methoxypropyl)pyridin-4-...)
Show SMILES COCCCc1cc(CN(C2CC2)C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c(Cl)cn1
Show InChI InChI=1S/C33H40Cl3N3O3/c1-22-15-29(34)32(30(35)16-22)42-14-3-5-23-7-9-24(10-8-23)17-25(19-37)33(40)39(28-11-12-28)21-26-18-27(6-4-13-41-2)38-20-31(26)36/h7-10,15-16,18,20,25,28H,3-6,11-14,17,19,21,37H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin in human citrated-plasma


Bioorg Med Chem Lett 20: 2204-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.036
BindingDB Entry DOI: 10.7270/Q2W37WGD
More data for this
Ligand-Target Pair