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BDBM50016001 (2R,4R)-[[1-Benzyl-4-(1-cyclohexylmethyl-2-hydroxy-4-isobutylcarbamoyl-pent-4-enylcarbamoyl)-2-hydroxy-6-methyl-heptyl]-carbamic acid tert-butyl ester::CHEMBL124379

SMILES: CC(C)CNC(=O)C(=C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(CC(C)C)CC(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=ZGVGZCUZLIQPFV-OMUSJNLJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50016001   
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))
BDBM50016001
PNG
((2R,4R)-[[1-Benzyl-4-(1-cyclohexylmethyl-2-hydroxy...)
Show SMILES CC(C)CNC(=O)C(=C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(CC(C)C)CC(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C38H63N3O6/c1-25(2)19-30(23-34(43)32(22-29-17-13-10-14-18-29)41-37(46)47-38(6,7)8)36(45)40-31(21-28-15-11-9-12-16-28)33(42)20-27(5)35(44)39-24-26(3)4/h10,13-14,17-18,25-26,28,30-34,42-43H,5,9,11-12,15-16,19-24H2,1-4,6-8H3,(H,39,44)(H,40,45)(H,41,46)/t30?,31-,32-,33-,34?/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human renal renin using radioimmuno assay for angiotensin I production


J Med Chem 33: 371-4 (1990)


Article DOI: 10.1021/jm00163a059
BindingDB Entry DOI: 10.7270/Q26972J7
More data for this
Ligand-Target Pair