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BDBM50010902 5-Cyclohexyl-2,2-difluoro-4-[2-(8-isobutyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-acetylamino]-3-oxo-pentanoic acid {3-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butyl}-amide::CHEMBL38846

SMILES: CC(C)CC(NC(=O)C(F)(F)C(=O)C(CC1CCCCC1)NC(=O)Cc1nnc2c(CC(C)C)nc(cn12)-c1ccccc1)C(=O)NCc1ccccn1

InChI Key: InChIKey=YFNMAILKOUELHL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50010902   
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))
BDBM50010902
PNG
(5-Cyclohexyl-2,2-difluoro-4-[2-(8-isobutyl-6-pheny...)
Show SMILES CC(C)CC(NC(=O)C(F)(F)C(=O)C(CC1CCCCC1)NC(=O)Cc1nnc2c(CC(C)C)nc(cn12)-c1ccccc1)C(=O)NCc1ccccn1
Show InChI InChI=1S/C40H50F2N8O4/c1-25(2)19-31-37-49-48-34(50(37)24-33(45-31)28-15-9-6-10-16-28)22-35(51)46-30(21-27-13-7-5-8-14-27)36(52)40(41,42)39(54)47-32(20-26(3)4)38(53)44-23-29-17-11-12-18-43-29/h6,9-12,15-18,24-27,30,32H,5,7-8,13-14,19-23H2,1-4H3,(H,44,53)(H,46,51)(H,47,54)
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PC sid
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Similars

Article
PubMed
n/an/a 1.90n/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