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BDBM50010898 7-Cyclohexyl-3-hydroxy-4-[2-(8-isobutyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-yl-propionylamino]-6-methyl-heptanoic acid [1-(3-aminomethyl-benzylcarbamoyl)-3-methyl-butyl]-amide::CHEMBL41567

SMILES: CC(C)CC(NC(=O)CC(O)C(CC(C)CC1CCCCC1)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1)C(=O)NCc1cccc(CN)c1

InChI Key: InChIKey=WDUMVJRIAGVQSC-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50010898   
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))
BDBM50010898
PNG
(7-Cyclohexyl-3-hydroxy-4-[2-(8-isobutyl-6-phenyl-[...)
Show SMILES CC(C)CC(NC(=O)CC(O)C(CC(C)CC1CCCCC1)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1)C(=O)NCc1cccc(CN)c1
Show InChI InChI=1S/C51H69N9O4/c1-33(2)22-43-49-59-58-48(60(49)32-45(55-43)40-19-10-7-11-20-40)41(27-39-18-13-21-53-30-39)50(63)57-42(25-35(5)24-36-14-8-6-9-15-36)46(61)28-47(62)56-44(23-34(3)4)51(64)54-31-38-17-12-16-37(26-38)29-52/h7,10-13,16-21,26,30,32-36,41-42,44,46,61H,6,8-9,14-15,22-25,27-29,31,52H2,1-5H3,(H,54,64)(H,56,62)(H,57,63)
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Similars

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 34: 151-7 (1991)


Article DOI: 10.1021/jm00105a022
BindingDB Entry DOI: 10.7270/Q2251H5S
More data for this
Ligand-Target Pair