Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 434.6 BDBM50281228

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Renin (Homo sapiens (Human))	BDBM50281228 (4-Methyl-pentanoic acid ((1S,2R,3S)-4-butylsulfamo...) Show SMILES CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCC(C)C Show InChI InChI=1S/C21H42N2O5S/c1-4-5-13-22-29(27,28)15-19(24)21(26)18(14-17-9-7-6-8-10-17)23-20(25)12-11-16(2)3/h16-19,21-22,24,26H,4-15H2,1-3H3,(H,23,25)/t18-,19+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its inhibitory activity against human renal renin at pH 7				Bioorg Med Chem Lett 3: 2739-2744 (1993) Article DOI: 10.1016/S0960-894X(01)80755-1 BindingDB Entry DOI: 10.7270/Q2Q52PJ2
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