BDBM50350934 CHEMBL1818051

SMILES: COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1ccccc1-c1ccccc1C

InChI Key: InChIKey=LUWKXSCMVRTWST-SZTMJRGBSA-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 = 50350934   

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))	BDBM50350934 (CHEMBL1818051) Show SMILES COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1ccccc1-c1ccccc1C |r| Show InChI InChI=1S/C30H42N2O4/c1-21-10-3-4-12-24(21)25-13-5-6-14-26(25)30(35,15-7-8-17-36-2)23-11-9-16-32(20-23)29(34)22-18-27(31)28(33)19-22/h3-6,10,12-14,22-23,27-28,33,35H,7-9,11,15-20,31H2,1-2H3/t22-,23+,27+,28-,30-/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	23	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				3D Structure (docked)