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BDBM50289724 1-Oxo-1,2-dihydro-isoquinoline-3-carboxylic acid [(S)-1-((1S,2S,4S)-1-cyclohexylmethyl-2,4-dihydroxy-5-methyl-hexylcarbamoyl)-2-(1H-imidazol-4-yl)-ethyl]-amide::CHEMBL56095

SMILES: CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2c(=O)[nH]1

InChI Key: InChIKey=XCMSMCVNTJWVOL-MNUOIFNESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50289724   
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))
BDBM50289724
PNG
(1-Oxo-1,2-dihydro-isoquinoline-3-carboxylic acid [...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C30H41N5O5/c1-18(2)26(36)15-27(37)23(12-19-8-4-3-5-9-19)33-30(40)25(14-21-16-31-17-32-21)35-29(39)24-13-20-10-6-7-11-22(20)28(38)34-24/h6-7,10-11,13,16-19,23,25-27,36-37H,3-5,8-9,12,14-15H2,1-2H3,(H,31,32)(H,33,40)(H,34,38)(H,35,39)/t23-,25-,26-,27-/m0/s1
PDB
MMDB

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Article
n/an/a 48n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair