Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 773.0 BDBM50006182

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

Found 2 hits 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))	BDBM50006182 ((4-{2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl...) Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](NC(=O)OCCN1CCCC1)C(C)C Show InChI InChI=1S/C43H72N4O8/c1-5-6-19-39(55-40(29-34-17-11-8-12-18-34)42(50)47-24-20-35(21-25-47)54-31-52-4)41(49)44-37(28-33-15-9-7-10-16-33)38(48)30-36(32(2)3)45-43(51)53-27-26-46-22-13-14-23-46/h8,11-12,17-18,32-33,35-40,48H,5-7,9-10,13-16,19-31H2,1-4H3,(H,44,49)(H,45,51)/t36-,37-,38-,39-,40-/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	2.5	n/a	n/a	n/a	n/a	6.0	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro activity against human renin (pH 6.0)				J Med Chem 35: 1735-46 (1992) BindingDB Entry DOI: 10.7270/Q27943MQ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50006182 ((4-{2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl...) Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](NC(=O)OCCN1CCCC1)C(C)C Show InChI InChI=1S/C43H72N4O8/c1-5-6-19-39(55-40(29-34-17-11-8-12-18-34)42(50)47-24-20-35(21-25-47)54-31-52-4)41(49)44-37(28-33-15-9-7-10-16-33)38(48)30-36(32(2)3)45-43(51)53-27-26-46-22-13-14-23-46/h8,11-12,17-18,32-33,35-40,48H,5-7,9-10,13-16,19-31H2,1-4H3,(H,44,49)(H,45,51)/t36-,37-,38-,39-,40-/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	13	n/a	n/a	n/a	n/a	7.4	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro activity against human renin (pH 6.0)				J Med Chem 35: 1735-46 (1992) BindingDB Entry DOI: 10.7270/Q27943MQ
					More data for this Ligand-Target Pair