BDBM50350944 CHEMBL1818041

SMILES: CNC[C@H](C)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCCOC)c1ccccc1Oc1ccccc1

InChI Key: InChIKey=NZLLRNCZMLGIHF-JWZKTCGFSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50350944   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Renin (Homo sapiens (Human))	BDBM50350944 (CHEMBL1818041) Show SMILES CNC[C@H](C)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCCOC)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C28H41N3O4/c1-22(20-29-2)30-27(32)31-18-11-12-23(21-31)28(33,17-9-10-19-34-3)25-15-7-8-16-26(25)35-24-13-5-4-6-14-24/h4-8,13-16,22-23,29,33H,9-12,17-21H2,1-3H3,(H,30,32)/t22-,23+,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using of DABCYL-c-Abu-IleHis-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate after 60 to 360 mins by fluores...				Bioorg Med Chem Lett 21: 4836-43 (2011) Article DOI: 10.1016/j.bmcl.2011.06.043 BindingDB Entry DOI: 10.7270/Q25M663G
					More data for this Ligand-Target Pair