Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 520.7 BDBM50290648

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))	BDBM50290648 (CHEMBL94194 | [2-((2S,4S,5S)-4-Amino-7-butylcarbam...) Show SMILES CCCCNC(=O)C(C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(cc1OCC(=O)OCC)C(C)(C)C)C(C)C Show InChI InChI=1S/C30H52N2O5/c1-9-11-14-32-29(35)21(5)15-26(33)25(31)17-23(20(3)4)16-22-12-13-24(30(6,7)8)18-27(22)37-19-28(34)36-10-2/h12-13,18,20-21,23,25-26,33H,9-11,14-17,19,31H2,1-8H3,(H,32,35)/t21?,23-,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	290	n/a	n/a	n/a	n/a	7.2	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity for human renin at pH 7.2				Bioorg Med Chem Lett 7: 2735-2740 (1997) Article DOI: 10.1016/S0960-894X(97)10067-1 BindingDB Entry DOI: 10.7270/Q2PN95NC
					More data for this Ligand-Target Pair