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SMILES: CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCNc1nnc(N)[nH]1

InChI Key: InChIKey=YVALVXNTVVYYCT-XYPUQJIVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50036996   
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))		BDBM50036996
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCNc1nnc(N)[nH]1
Show InChI InChI=1S/C41H69N9O6/c1-5-6-17-33(45-35(25-30-15-11-8-12-16-30)39(54)50-22-18-31(19-23-50)56-27-55-4)38(53)46-34(24-29-13-9-7-10-14-29)36(51)26-32(28(2)3)37(52)43-20-21-44-41-47-40(42)48-49-41/h8,11-12,15-16,28-29,31-36,45,51H,5-7,9-10,13-14,17-27H2,1-4H3,(H,43,52)(H,46,53)(H4,42,44,47,48,49)/t32-,33-,34-,35-,36-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 6.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin

J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair