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BDBM50281222 (S)-N-[(S)-4-((S,R)-Butylsulfamoyl)-1-cyclohexylmethyl-2,3-dihydroxy-butyl]-3-(3H-imidazol-4-yl)-2-(3-phenyl-propionylamino)-propionamide::CHEMBL276749

SMILES: CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1

InChI Key: InChIKey=VKIYJLZLTJGKEQ-YJIPECKFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50281222   
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))
BDBM50281222
PNG
((S)-N-[(S)-4-((S,R)-Butylsulfamoyl)-1-cyclohexylme...)
Show SMILES CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C30H47N5O6S/c1-2-3-16-33-42(40,41)20-27(36)29(38)25(17-23-12-8-5-9-13-23)35-30(39)26(18-24-19-31-21-32-24)34-28(37)15-14-22-10-6-4-7-11-22/h4,6-7,10-11,19,21,23,25-27,29,33,36,38H,2-3,5,8-9,12-18,20H2,1H3,(H,31,32)(H,34,37)(H,35,39)/t25-,26-,27+,29+/m0/s1
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Similars

Article
n/an/a 2.10E+4n/an/an/an/a7.0n/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7


Bioorg Med Chem Lett 3: 2739-2744 (1993)


Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2
More data for this
Ligand-Target Pair