Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 861.0 BDBM50009911

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))	BDBM50009911 (6-(3-Methyl-thioureido)-2-[2-(morpholine-4-sulfony...) Show SMILES CNC(=S)NCCCCC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)[C@H](O)C(F)(F)C(=O)N1CCOC(CCN)C1 Show InChI InChI=1S/C38H62F2N8O8S2/c1-42-37(57)43-17-9-8-14-30(44-35(51)32(25-28-12-6-3-7-13-28)46-58(53,54)48-19-21-55-22-20-48)34(50)45-31(24-27-10-4-2-5-11-27)33(49)38(39,40)36(52)47-18-23-56-29(26-47)15-16-41/h3,6-7,12-13,27,29-33,46,49H,2,4-5,8-11,14-26,41H2,1H3,(H,44,51)(H,45,50)(H2,42,43,57)/t29?,30?,31?,32?,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibitory activity against monkey plasma renin.				J Med Chem 34: 1258-71 (1991) BindingDB Entry DOI: 10.7270/Q21C1VT6
					More data for this Ligand-Target Pair