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BDBM50328868 4-chloro-3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)phenyl)piperidine-3-carboxamido)methyl)phenethyl methylcarbamate::CHEMBL1269695

SMILES: CNC(=O)OCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1

InChI Key: InChIKey=FYSLFQAQQSPKHF-WDYNHAJCSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50328868   
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))
BDBM50328868
PNG
(4-chloro-3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-di...)
Show SMILES CNC(=O)OCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r|
Show InChI InChI=1S/C35H40Cl3N3O5/c1-22-17-31(37)33(32(38)18-22)45-16-15-44-27-8-4-24(5-9-27)28-11-13-40-20-29(28)34(42)41(26-6-7-26)21-25-19-23(3-10-30(25)36)12-14-46-35(43)39-2/h3-5,8-10,17-19,26,28-29,40H,6-7,11-16,20-21H2,1-2H3,(H,39,43)/t28-,29+/m1/s1
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.270n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in plasma


Bioorg Med Chem Lett 20: 6286-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.086
BindingDB Entry DOI: 10.7270/Q2WD40T3
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50328868
PNG
(4-chloro-3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-di...)
Show SMILES CNC(=O)OCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r|
Show InChI InChI=1S/C35H40Cl3N3O5/c1-22-17-31(37)33(32(38)18-22)45-16-15-44-27-8-4-24(5-9-27)28-11-13-40-20-29(28)34(42)41(26-6-7-26)21-25-19-23(3-10-30(25)36)12-14-46-35(43)39-2/h3-5,8-10,17-19,26,28-29,40H,6-7,11-16,20-21H2,1-2H3,(H,39,43)/t28-,29+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.30n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in plasma


Bioorg Med Chem Lett 20: 6286-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.086
BindingDB Entry DOI: 10.7270/Q2WD40T3
More data for this
Ligand-Target Pair