BDBM50196732 CHEMBL234762::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl)benzamide

SMILES: CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1

InChI Key: InChIKey=DYJSRBZNIWQLJJ-LBFZIJHGSA-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 = 50196732   

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))	BDBM50196732 (CHEMBL234762 | N-((S)-1-((2S,3R)-4-(3-ethylbenzyla...) Show SMILES CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 Show InChI InChI=1S/C36H47F2N3O5S/c1-4-11-31(12-5-2)47(45,46)24-33(41-35(43)28-15-8-7-9-16-28)36(44)40-32(20-27-18-29(37)21-30(38)19-27)34(42)23-39-22-26-14-10-13-25(6-3)17-26/h7-10,13-19,21,31-34,39,42H,4-6,11-12,20,22-24H2,1-3H3,(H,40,44)(H,41,43)/t32-,33+,34+/m0/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	495	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE				Bioorg Med Chem Lett 17: 78-81 (2006) Article DOI: 10.1016/j.bmcl.2006.09.091 BindingDB Entry DOI: 10.7270/Q22N51X6
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50196732 (CHEMBL234762 | N-((S)-1-((2S,3R)-4-(3-ethylbenzyla...) Show SMILES CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 Show InChI InChI=1S/C36H47F2N3O5S/c1-4-11-31(12-5-2)47(45,46)24-33(41-35(43)28-15-8-7-9-16-28)36(44)40-32(20-27-18-29(37)21-30(38)19-27)34(42)23-39-22-26-14-10-13-25(6-3)17-26/h7-10,13-19,21,31-34,39,42H,4-6,11-12,20,22-24H2,1-3H3,(H,40,44)(H,41,43)/t32-,33+,34+/m0/s1	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	495	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 17: 78-81 (2006) Article DOI: 10.1016/j.bmcl.2006.09.091 BindingDB Entry DOI: 10.7270/Q22N51X6
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50196732 (CHEMBL234762 | N-((S)-1-((2S,3R)-4-(3-ethylbenzyla...) Show SMILES CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 Show InChI InChI=1S/C36H47F2N3O5S/c1-4-11-31(12-5-2)47(45,46)24-33(41-35(43)28-15-8-7-9-16-28)36(44)40-32(20-27-18-29(37)21-30(38)19-27)34(42)23-39-22-26-14-10-13-25(6-3)17-26/h7-10,13-19,21,31-34,39,42H,4-6,11-12,20,22-24H2,1-3H3,(H,40,44)(H,41,43)/t32-,33+,34+/m0/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	n/a	n/a	14	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE expressed in HEK293 cells				Bioorg Med Chem Lett 17: 78-81 (2006) Article DOI: 10.1016/j.bmcl.2006.09.091 BindingDB Entry DOI: 10.7270/Q22N51X6
					More data for this Ligand-Target Pair