BDBM50315003 CHEMBL1092227::N-allyl-4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyrrol-2-yl)benzamide

SMILES: Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NCC=C)-c2ccccc2)n1

InChI Key: InChIKey=LLAHJUDHJREWBP-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 = 50315003   

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))	BDBM50315003 (CHEMBL1092227 | N-allyl-4-(1-((6-aminopyridin-2-yl...) Show SMILES Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NCC=C)-c2ccccc2)n1 Show InChI InChI=1S/C26H24N4O/c1-2-17-28-26(31)21-13-11-20(12-14-21)24-16-15-23(19-7-4-3-5-8-19)30(24)18-22-9-6-10-25(27)29-22/h2-16H,1,17-18H2,(H2,27,29)(H,28,31)	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	590	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
Cathepsin D (Homo sapiens (Human))	BDBM50315003 (CHEMBL1092227 | N-allyl-4-(1-((6-aminopyridin-2-yl...) Show SMILES Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NCC=C)-c2ccccc2)n1 Show InChI InChI=1S/C26H24N4O/c1-2-17-28-26(31)21-13-11-20(12-14-21)24-16-15-23(19-7-4-3-5-8-19)30(24)18-22-9-6-10-25(27)29-22/h2-16H,1,17-18H2,(H2,27,29)(H,28,31)	PDB MMDB NCI pathway 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	4.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of cathepsin D 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))	BDBM50315003 (CHEMBL1092227 | N-allyl-4-(1-((6-aminopyridin-2-yl...) Show SMILES Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NCC=C)-c2ccccc2)n1 Show InChI InChI=1S/C26H24N4O/c1-2-17-28-26(31)21-13-11-20(12-14-21)24-16-15-23(19-7-4-3-5-8-19)30(24)18-22-9-6-10-25(27)29-22/h2-16H,1,17-18H2,(H2,27,29)(H,28,31)	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	4.80E+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