Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 639.7 BDBM50017778

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))	BDBM50017778 (CHEMBL282757 | Morpholine-4-carboxylic acid {1-[1-...) Show SMILES O[C@H](CN=[N+]=[N-])[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 Show InChI InChI=1S/C31H45N9O6/c32-39-35-19-27(41)28(42)24(15-21-7-3-1-4-8-21)36-30(44)26(17-23-18-33-20-34-23)37-29(43)25(16-22-9-5-2-6-10-22)38-31(45)40-11-13-46-14-12-40/h2,5-6,9-10,18,20-21,24-28,41-42H,1,3-4,7-8,11-17,19H2,(H,33,34)(H,36,44)(H,37,43)(H,38,45)/t24-,25+,26+,27-,28+/m1/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	2.40	n/a	n/a	n/a	n/a	7.4	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against purified human plasma renin at pH 6.0				J Med Chem 32: 1371-8 (1989) BindingDB Entry DOI: 10.7270/Q2474BFR
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50017778 (CHEMBL282757 | Morpholine-4-carboxylic acid {1-[1-...) Show SMILES O[C@H](CN=[N+]=[N-])[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 Show InChI InChI=1S/C31H45N9O6/c32-39-35-19-27(41)28(42)24(15-21-7-3-1-4-8-21)36-30(44)26(17-23-18-33-20-34-23)37-29(43)25(16-22-9-5-2-6-10-22)38-31(45)40-11-13-46-14-12-40/h2,5-6,9-10,18,20-21,24-28,41-42H,1,3-4,7-8,11-17,19H2,(H,33,34)(H,36,44)(H,37,43)(H,38,45)/t24-,25+,26+,27-,28+/m1/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	2.40	n/a	n/a	n/a	n/a	7.4	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human plasma renin at pH 7.4				J Med Chem 32: 1371-8 (1989) BindingDB Entry DOI: 10.7270/Q2474BFR
					More data for this Ligand-Target Pair