BDBM29757 hydroxyethylamine derivative, 7

SMILES: CCNc1cc(cc(N2CCCC2=O)c1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=XSDWSIBQQPTUOF-LMSSTIIKSA-N

Data: 3 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 3 hits for monomerid = 29757   

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))	BDBM29757 (hydroxyethylamine derivative, 7) Show SMILES CCNc1cc(cc(N2CCCC2=O)c1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C32H37F3N4O3/c1-3-37-26-17-24(18-28(21(26)2)39-14-8-13-30(39)41)31(42)38-27(16-22-9-5-4-6-10-22)29(40)20-36-19-23-11-7-12-25(15-23)32(33,34)35/h4-7,9-12,15,17-18,27,29,36-37,40H,3,8,13-14,16,19-20H2,1-2H3,(H,38,42)/t27-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	4.5	22
GSK					Assay Description Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e...				Bioorg Med Chem Lett 19: 3664-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.165 BindingDB Entry DOI: 10.7270/Q2F18X23
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM29757 (hydroxyethylamine derivative, 7) Show SMILES CCNc1cc(cc(N2CCCC2=O)c1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C32H37F3N4O3/c1-3-37-26-17-24(18-28(21(26)2)39-14-8-13-30(39)41)31(42)38-27(16-22-9-5-4-6-10-22)29(40)20-36-19-23-11-7-12-25(15-23)32(33,34)35/h4-7,9-12,15,17-18,27,29,36-37,40H,3,8,13-14,16,19-20H2,1-2H3,(H,38,42)/t27-,29+/m0/s1	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	4.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e...				Bioorg Med Chem Lett 19: 3664-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.165 BindingDB Entry DOI: 10.7270/Q2F18X23
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM29757 (hydroxyethylamine derivative, 7) Show SMILES CCNc1cc(cc(N2CCCC2=O)c1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C32H37F3N4O3/c1-3-37-26-17-24(18-28(21(26)2)39-14-8-13-30(39)41)31(42)38-27(16-22-9-5-4-6-10-22)29(40)20-36-19-23-11-7-12-25(15-23)32(33,34)35/h4-7,9-12,15,17-18,27,29,36-37,40H,3,8,13-14,16,19-20H2,1-2H3,(H,38,42)/t27-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.12E+3	n/a	n/a	n/a	n/a	4.5	22
GSK					Assay Description Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e...				Bioorg Med Chem Lett 19: 3664-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.165 BindingDB Entry DOI: 10.7270/Q2F18X23
					More data for this Ligand-Target Pair