BDBM50196750 CHEMBL394271::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-yl)isonicotinamide

SMILES: CCCCS(=O)(=O)C[C@@H](NC(=O)c1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1

InChI Key: InChIKey=KKYXFRKWFWFPDF-FRXPANAUSA-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 = 50196750   

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))	BDBM50196750 (CHEMBL394271 | N-((S)-1-((2S,3R)-4-(3-ethylbenzyla...) Show SMILES CCCCS(=O)(=O)C[C@@H](NC(=O)c1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 Show InChI InChI=1S/C32H40F2N4O5S/c1-3-5-13-44(42,43)21-29(38-31(40)25-9-11-35-12-10-25)32(41)37-28(17-24-15-26(33)18-27(34)16-24)30(39)20-36-19-23-8-6-7-22(4-2)14-23/h6-12,14-16,18,28-30,36,39H,3-5,13,17,19-21H2,1-2H3,(H,37,41)(H,38,40)/t28-,29+,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	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))	BDBM50196750 (CHEMBL394271 | N-((S)-1-((2S,3R)-4-(3-ethylbenzyla...) Show SMILES CCCCS(=O)(=O)C[C@@H](NC(=O)c1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 Show InChI InChI=1S/C32H40F2N4O5S/c1-3-5-13-44(42,43)21-29(38-31(40)25-9-11-35-12-10-25)32(41)37-28(17-24-15-26(33)18-27(34)16-24)30(39)20-36-19-23-8-6-7-22(4-2)14-23/h6-12,14-16,18,28-30,36,39H,3-5,13,17,19-21H2,1-2H3,(H,37,41)(H,38,40)/t28-,29+,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.26E+3	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))	BDBM50196750 (CHEMBL394271 | N-((S)-1-((2S,3R)-4-(3-ethylbenzyla...) Show SMILES CCCCS(=O)(=O)C[C@@H](NC(=O)c1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 Show InChI InChI=1S/C32H40F2N4O5S/c1-3-5-13-44(42,43)21-29(38-31(40)25-9-11-35-12-10-25)32(41)37-28(17-24-15-26(33)18-27(34)16-24)30(39)20-36-19-23-8-6-7-22(4-2)14-23/h6-12,14-16,18,28-30,36,39H,3-5,13,17,19-21H2,1-2H3,(H,37,41)(H,38,40)/t28-,29+,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1	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