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BDBM50314652 3-amino-N-(2-chloro-5-(2-cyanoethyl)benzyl)-N-cyclopropyl-2-(4-(3-(2,6-dichloro-4-methylphenoxy)propyl)benzyl)propanamide::CHEMBL1092524

SMILES: Cc1cc(Cl)c(OCCCc2ccc(CC(CN)C(=O)N(Cc3cc(CCC#N)ccc3Cl)C3CC3)cc2)c(Cl)c1

InChI Key: InChIKey=QZRDZGGZGABLDM-UHFFFAOYNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50314652   
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))
BDBM50314652
PNG
(3-amino-N-(2-chloro-5-(2-cyanoethyl)benzyl)-N-cycl...)
Show SMILES Cc1cc(Cl)c(OCCCc2ccc(CC(CN)C(=O)N(Cc3cc(CCC#N)ccc3Cl)C3CC3)cc2)c(Cl)c1
Show InChI InChI=1/C33H36Cl3N3O2/c1-22-16-30(35)32(31(36)17-22)41-15-3-5-23-6-8-25(9-7-23)18-26(20-38)33(40)39(28-11-12-28)21-27-19-24(4-2-14-37)10-13-29(27)34/h6-10,13,16-17,19,26,28H,2-5,11-12,15,18,20-21,38H2,1H3
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.270n/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))
BDBM50314652
PNG
(3-amino-N-(2-chloro-5-(2-cyanoethyl)benzyl)-N-cycl...)
Show SMILES Cc1cc(Cl)c(OCCCc2ccc(CC(CN)C(=O)N(Cc3cc(CCC#N)ccc3Cl)C3CC3)cc2)c(Cl)c1
Show InChI InChI=1/C33H36Cl3N3O2/c1-22-16-30(35)32(31(36)17-22)41-15-3-5-23-6-8-25(9-7-23)18-26(20-38)33(40)39(28-11-12-28)21-27-19-24(4-2-14-37)10-13-29(27)34/h6-10,13,16-17,19,26,28H,2-5,11-12,15,18,20-21,38H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/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