BDBM50055893 CHEMBL3321929

SMILES: COc1ccc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)cc1F

InChI Key: InChIKey=GWVGAFINOCHOOI-JOCHJYFZSA-N

Data: 2 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 2 hits for monomerid = 50055893   

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
Cathepsin D (Homo sapiens (Human))	BDBM50055893 (CHEMBL3321929) Show SMILES COc1ccc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)cc1F |r| Show InChI InChI=1S/C28H37FN4O5/c1-36-23-11-10-20(13-21(23)29)17-31-27(35)22(14-18-7-5-4-6-8-18)32-28(30)33-26(34)16-19-9-12-24(37-2)25(15-19)38-3/h9-13,15,18,22H,4-8,14,16-17H2,1-3H3,(H,31,35)(H3,30,32,33,34)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin D using MCA-labeled GKPILFFRLK(Dnp)-D-R-NH2 peptide by fluorescence-based assay				Bioorg Med Chem Lett 24: 4141-50 (2014) Article DOI: 10.1016/j.bmcl.2014.07.054 BindingDB Entry DOI: 10.7270/Q2W95BV1
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50055893 (CHEMBL3321929) Show SMILES COc1ccc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)cc1F |r| Show InChI InChI=1S/C28H37FN4O5/c1-36-23-11-10-20(13-21(23)29)17-31-27(35)22(14-18-7-5-4-6-8-18)32-28(30)33-26(34)16-19-9-12-24(37-2)25(15-19)38-3/h9-13,15,18,22H,4-8,14,16-17H2,1-3H3,(H,31,35)(H3,30,32,33,34)/t22-/m1/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	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using quenched Dabcyl-g-Abu-IHPFHLVIHT-Edans peptide substrate by fluorescence-based assay				Bioorg Med Chem Lett 24: 4141-50 (2014) Article DOI: 10.1016/j.bmcl.2014.07.054 BindingDB Entry DOI: 10.7270/Q2W95BV1
					More data for this Ligand-Target Pair