BDBM16756 3-[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(dipropylcarbamoyl)phenyl]formamido}-2-ethyl-4-hydroxyhexanamido]propanoic acid::CHEMBL295996::Hydroxyethylene-Based Peptidomimetic Inhibitor, 6

SMILES: CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCC(O)=O

InChI Key: InChIKey=IQPUAQWXFYEAKS-AIGMYPEUSA-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 = 16756   

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))	BDBM16756 (3-[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(diprop...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCC(O)=O |r| Show InChI InChI=1S/C31H41F2N3O6/c1-4-12-36(13-5-2)31(42)23-9-7-8-22(17-23)30(41)35-26(16-20-14-24(32)19-25(33)15-20)27(37)18-21(6-3)29(40)34-11-10-28(38)39/h7-9,14-15,17,19,21,26-27,37H,4-6,10-13,16,18H2,1-3H3,(H,34,40)(H,35,41)(H,38,39)/t21-,26+,27+/m1/s1	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	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity against Beta-secretase				Bioorg Med Chem Lett 14: 4843-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.044 BindingDB Entry DOI: 10.7270/Q2M32WJX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16756 (3-[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(diprop...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCC(O)=O |r| Show InChI InChI=1S/C31H41F2N3O6/c1-4-12-36(13-5-2)31(42)23-9-7-8-22(17-23)30(41)35-26(16-20-14-24(32)19-25(33)15-20)27(37)18-21(6-3)29(40)34-11-10-28(38)39/h7-9,14-15,17,19,21,26-27,37H,4-6,10-13,16,18H2,1-3H3,(H,34,40)(H,35,41)(H,38,39)/t21-,26+,27+/m1/s1	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	2.80E+3	n/a	n/a	n/a	n/a	4.8	37
Elan Pharmaceuticals					Assay Description Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...				J Med Chem 47: 158-64 (2004) Article DOI: 10.1021/jm0304008 BindingDB Entry DOI: 10.7270/Q2G73BZ6
					More data for this Ligand-Target Pair