BDBM50403562 CHEMBL2062138::UK-69578

SMILES: COCCOCC(CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)Oc1ccc2CCCc2c1

InChI Key: InChIKey=ZTWZVMIYIIVABD-IQEXNZJNSA-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 = 50403562   

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
Neprilysin (Homo sapiens (Human))	BDBM50403562 (CHEMBL2062138 | UK-69578) Show SMILES COCCOCC(CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)Oc1ccc2CCCc2c1 |wU:19.23,16.16,(-7.72,2.65,;-6.63,1.56,;-5.54,2.65,;-4.45,1.54,;-3.34,2.63,;-2.23,1.53,;-2.23,-.01,;-.89,-.72,;.43,.09,;1.68,.98,;1.19,2.46,;-.35,2.44,;-.82,.98,;1.77,-.64,;1.84,-2.18,;3.09,.18,;4.46,-.55,;5.74,.28,;7.1,-.46,;7.16,-2,;5.85,-2.8,;4.5,-2.08,;8.51,-2.73,;8.56,-4.27,;9.82,-1.9,;-3.55,-.81,;-3.5,-2.35,;-4.9,-.07,;-6.21,-.91,;-7.57,-.17,;-8.88,-.99,;-8.84,-2.54,;-9.94,-3.63,;-9.26,-5.01,;-7.72,-4.79,;-7.46,-3.25,;-6.16,-2.45,)| Show InChI InChI=1S/C29H41NO7/c1-35-15-16-36-19-23(27(33)37-25-12-9-20-5-4-6-22(20)17-25)18-29(13-2-3-14-29)28(34)30-24-10-7-21(8-11-24)26(31)32/h9,12,17,21,23-24H,2-8,10-11,13-16,18-19H2,1H3,(H,30,34)(H,31,32)/t21-,23?,24+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Neutral Endopeptidase				Bioorg Med Chem Lett 6: 1487-1490 (1996) Article DOI: 10.1016/S0960-894X(96)00255-7 BindingDB Entry DOI: 10.7270/Q2B27VSQ
					More data for this Ligand-Target Pair
Neutral Endopeptidase (NEP) (Rattus norvegicus (Rat))	BDBM50403562 (CHEMBL2062138 | UK-69578) Show SMILES COCCOCC(CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)Oc1ccc2CCCc2c1 |wU:19.23,16.16,(-7.72,2.65,;-6.63,1.56,;-5.54,2.65,;-4.45,1.54,;-3.34,2.63,;-2.23,1.53,;-2.23,-.01,;-.89,-.72,;.43,.09,;1.68,.98,;1.19,2.46,;-.35,2.44,;-.82,.98,;1.77,-.64,;1.84,-2.18,;3.09,.18,;4.46,-.55,;5.74,.28,;7.1,-.46,;7.16,-2,;5.85,-2.8,;4.5,-2.08,;8.51,-2.73,;8.56,-4.27,;9.82,-1.9,;-3.55,-.81,;-3.5,-2.35,;-4.9,-.07,;-6.21,-.91,;-7.57,-.17,;-8.88,-.99,;-8.84,-2.54,;-9.94,-3.63,;-9.26,-5.01,;-7.72,-4.79,;-7.46,-3.25,;-6.16,-2.45,)| Show InChI InChI=1S/C29H41NO7/c1-35-15-16-36-19-23(27(33)37-25-12-9-20-5-4-6-22(20)17-25)18-29(13-2-3-14-29)28(34)30-24-10-7-21(8-11-24)26(31)32/h9,12,17,21,23-24H,2-8,10-11,13-16,18-19H2,1H3,(H,30,34)(H,31,32)/t21-,23?,24+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibitory activity against Endopeptidase				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
					More data for this Ligand-Target Pair