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SMILES: CCCC[C@H](O[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)NCC(C)(C)N1CCOCC1

InChI Key: InChIKey=MHLFAFYLTMNSLR-LSLOANPCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50036992   
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))		BDBM50036992
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](O[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)NCC(C)(C)N1CCOCC1
Show InChI InChI=1S/C45H76N4O8/c1-7-8-19-40(57-41(29-35-17-13-10-14-18-35)44(53)48-22-20-36(21-23-48)56-32-54-6)43(52)47-38(28-34-15-11-9-12-16-34)39(50)30-37(33(2)3)42(51)46-31-45(4,5)49-24-26-55-27-25-49/h10,13-14,17-18,33-34,36-41,50H,7-9,11-12,15-16,19-32H2,1-6H3,(H,46,51)(H,47,52)/t37-,38-,39-,40-,41-/m0/s1
PDB
MMDB

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PC cid
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Similars
PubMed
n/an/a 5.90n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4

J Med Chem 37: 2991-3007 (1994)


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