BDBM16755 Acylguanidine, 10d::N-[(1Z)-amino[(3-hydroxypropyl)amino]methylidene]-2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)-1H-pyrrol-1-yl]acetamide

SMILES: CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCO

InChI Key: InChIKey=FDBNUXAMAFEWOP-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 16755   

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))	BDBM16755 (Acylguanidine, 10d | N-[(1Z)-amino[(3-hydroxypropy...) Show SMILES CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCO Show InChI InChI=1S/C25H29ClN4O3/c1-2-16-33-19-10-8-18(9-11-19)22-12-13-23(20-6-3-4-7-21(20)26)30(22)17-24(32)29-25(27)28-14-5-15-31/h3-4,6-13,31H,2,5,14-17H2,1H3,(H3,27,28,29,32)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	4.5	22
Wyeth Research					Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o...				J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM16755 (Acylguanidine, 10d | N-[(1Z)-amino[(3-hydroxypropy...) Show SMILES CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCO Show InChI InChI=1S/C25H29ClN4O3/c1-2-16-33-19-10-8-18(9-11-19)22-12-13-23(20-6-3-4-7-21(20)26)30(22)17-24(32)29-25(27)28-14-5-15-31/h3-4,6-13,31H,2,5,14-17H2,1H3,(H3,27,28,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	4.5	22
Wyeth Research					Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o...				J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16755 (Acylguanidine, 10d | N-[(1Z)-amino[(3-hydroxypropy...) Show SMILES CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCO Show InChI InChI=1S/C25H29ClN4O3/c1-2-16-33-19-10-8-18(9-11-19)22-12-13-23(20-6-3-4-7-21(20)26)30(22)17-24(32)29-25(27)28-14-5-15-31/h3-4,6-13,31H,2,5,14-17H2,1H3,(H3,27,28,29,32)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 18: 767-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.043 BindingDB Entry DOI: 10.7270/Q27S7PK8
					More data for this Ligand-Target Pair
Pepsin (Homo sapiens (Human))	BDBM16755 (Acylguanidine, 10d | N-[(1Z)-amino[(3-hydroxypropy...) Show SMILES CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCO Show InChI InChI=1S/C25H29ClN4O3/c1-2-16-33-19-10-8-18(9-11-19)22-12-13-23(20-6-3-4-7-21(20)26)30(22)17-24(32)29-25(27)28-14-5-15-31/h3-4,6-13,31H,2,5,14-17H2,1H3,(H3,27,28,29,32)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	4.5	22
Wyeth Research					Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o...				J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16755 (Acylguanidine, 10d | N-[(1Z)-amino[(3-hydroxypropy...) Show SMILES CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCO Show InChI InChI=1S/C25H29ClN4O3/c1-2-16-33-19-10-8-18(9-11-19)22-12-13-23(20-6-3-4-7-21(20)26)30(22)17-24(32)29-25(27)28-14-5-15-31/h3-4,6-13,31H,2,5,14-17H2,1H3,(H3,27,28,29,32)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM16755 (Acylguanidine, 10d | N-[(1Z)-amino[(3-hydroxypropy...) Show SMILES CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCO Show InChI InChI=1S/C25H29ClN4O3/c1-2-16-33-19-10-8-18(9-11-19)22-12-13-23(20-6-3-4-7-21(20)26)30(22)17-24(32)29-25(27)28-14-5-15-31/h3-4,6-13,31H,2,5,14-17H2,1H3,(H3,27,28,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	4.5	22
Wyeth Research					Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o...				J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG
					More data for this Ligand-Target Pair