Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 502.6 BDBM98689

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))	BDBM98689 (US8497286, 165) Show SMILES COC[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1cc(OC)c(cn1)C(C)C |r,wU:16.20,12.12,6.9,17.19,wD:3.2,(11.34,-2.21,;10,-1.44,;8.67,-2.21,;7.34,-1.44,;7.34,.1,;6,.87,;4.67,.1,;4.67,-1.44,;6,-2.21,;3.33,.87,;2,.1,;2,-1.44,;.67,.87,;.67,2.41,;-.67,3.18,;-2,2.41,;-2,.87,;-.67,.1,;-.67,-1.44,;-3.33,.1,;-3.33,-1.44,;-4.67,.87,;-4.67,2.41,;-3.9,3.75,;-5.44,3.75,;-6,.1,;-7.34,.87,;-8.67,.1,;-10,.87,;-10,2.41,;-8.67,-1.44,;-7.34,-2.21,;-6,-1.44,;-10,-2.21,;-11.34,-1.44,;-10,-3.75,)| Show InChI InChI=1S/C27H42N4O5/c1-16(2)20-14-29-24(11-23(20)36-4)31(19-9-10-19)27(34)22-13-28-12-21(25(22)32)26(33)30-18-7-5-17(6-8-18)15-35-3/h11,14,16-19,21-22,25,28,32H,5-10,12-13,15H2,1-4H3,(H,30,33)/t17-,18-,21-,22+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Inhibition activity of renin using FRET assay.				US Patent US8497286 (2013) BindingDB Entry DOI: 10.7270/Q27P8X1B
					More data for this Ligand-Target Pair