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BDBM50022883 1N-[1-[1-cyclohexylmethyl-2-hydroxy-3-isopropylsulfanyl-(1S,2R)-propylcarbamoyl]-2-(1H-5-imidazolyl)-(1S)-ethyl]-2-aminotertiarybutyloxycarbonyl-3-phenyl-(2S)-propanamide::CHEMBL357302

SMILES: CC(C)SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=TUCQUFFLZSJMIG-DZUOILHNSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50022883   
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))
BDBM50022883
PNG
(1N-[1-[1-cyclohexylmethyl-2-hydroxy-3-isopropylsul...)
Show SMILES CC(C)SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H51N5O5S/c1-22(2)44-20-29(39)26(16-23-12-8-6-9-13-23)36-31(41)28(18-25-19-34-21-35-25)37-30(40)27(17-24-14-10-7-11-15-24)38-32(42)43-33(3,4)5/h7,10-11,14-15,19,21-23,26-29,39H,6,8-9,12-13,16-18,20H2,1-5H3,(H,34,35)(H,36,41)(H,37,40)(H,38,42)/t26-,27-,28-,29-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human renal renin at pH 6


J Med Chem 31: 532-9 (1988)


Article DOI: 10.1021/jm00398a008
BindingDB Entry DOI: 10.7270/Q2NK3D1X
More data for this
Ligand-Target Pair