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

InChI Key: InChIKey=FGQGIKICSVWTEY-OAJQQGRKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50029592   
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))		BDBM50029592
PNG
(((1S,2S)-2-{(S)-2-[(S)-2-(6-Amino-hexanoylamino)-3...)
Show SMILES COP(=O)(OC)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN
Show InChI InChI=1S/C32H55N4O7P/c1-23(2)20-26(30(38)36-28(22-25-16-10-6-11-17-25)32(40)44(41,42-3)43-4)35-31(39)27(21-24-14-8-5-9-15-24)34-29(37)18-12-7-13-19-33/h5,8-9,14-15,23,25-28,32,40H,6-7,10-13,16-22,33H2,1-4H3,(H,34,37)(H,35,39)(H,36,38)/t26-,27-,28-,32-/m0/s1
PDB
MMDB

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PubMed
n/an/a 31n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluation of inhibitory activity of the compound against human renin

J Med Chem 38: 4557-69 (1995)


BindingDB Entry DOI: 10.7270/Q27D2T5V
More data for this
Ligand-Target Pair