BDBM50314995 2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-3-ylamino)ethanol::CHEMBL1089186

SMILES: CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCO)c(N)n1

InChI Key: InChIKey=JUOGTZUVNDFPCE-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50314995   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50314995 (2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)...) Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCO)c(N)n1 Show InChI InChI=1S/C29H33ClN4O2/c1-2-3-6-19-36-23-12-9-21(10-13-23)27-15-16-28(24-7-4-5-8-25(24)30)34(27)20-22-11-14-26(29(31)33-22)32-17-18-35/h4-5,7-16,32,35H,2-3,6,17-20H2,1H3,(H2,31,33)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay				Bioorg Med Chem Lett 20: 2068-73 (2010) Article DOI: 10.1016/j.bmcl.2010.02.075 BindingDB Entry DOI: 10.7270/Q2PG1RWS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50314995 (2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)...) Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCO)c(N)n1 Show InChI InChI=1S/C29H33ClN4O2/c1-2-3-6-19-36-23-12-9-21(10-13-23)27-15-16-28(24-7-4-5-8-25(24)30)34(27)20-22-11-14-26(29(31)33-22)32-17-18-35/h4-5,7-16,32,35H,2-3,6,17-20H2,1H3,(H2,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of BACE2 by FRET assay				Bioorg Med Chem Lett 20: 2068-73 (2010) Article DOI: 10.1016/j.bmcl.2010.02.075 BindingDB Entry DOI: 10.7270/Q2PG1RWS
					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (Human))	BDBM50314995 (2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)...) Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCO)c(N)n1 Show InChI InChI=1S/C29H33ClN4O2/c1-2-3-6-19-36-23-12-9-21(10-13-23)27-15-16-28(24-7-4-5-8-25(24)30)34(27)20-22-11-14-26(29(31)33-22)32-17-18-35/h4-5,7-16,32,35H,2-3,6,17-20H2,1H3,(H2,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA				Bioorg Med Chem Lett 20: 2068-73 (2010) Article DOI: 10.1016/j.bmcl.2010.02.075 BindingDB Entry DOI: 10.7270/Q2PG1RWS
					More data for this Ligand-Target Pair