BDBM50196581 CHEMBL252962::N-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-4-dipropylsulfamoyl-butyramide

SMILES: CCCN(CCC)S(=O)(=O)CCCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1

InChI Key: InChIKey=FQTKIOCGHMSTMS-RRPNLBNLSA-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 = 50196581   

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
Cathepsin D (Homo sapiens (Human))	BDBM50196581 (CHEMBL252962 | N-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-...) Show SMILES CCCN(CCC)S(=O)(=O)CCCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 Show InChI InChI=1S/C28H43N3O5S/c1-4-16-31(17-5-2)37(34,35)18-10-15-28(33)30-26(20-23-11-7-6-8-12-23)27(32)22-29-21-24-13-9-14-25(19-24)36-3/h6-9,11-14,19,26-27,29,32H,4-5,10,15-18,20-22H2,1-3H3,(H,30,33)/t26-,27+/m0/s1	PDB MMDB NCI pathway 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	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin D				Bioorg Med Chem Lett 17: 73-7 (2006) Article DOI: 10.1016/j.bmcl.2006.09.092 BindingDB Entry DOI: 10.7270/Q2FX793P
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50196581 (CHEMBL252962 | N-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-...) Show SMILES CCCN(CCC)S(=O)(=O)CCCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 Show InChI InChI=1S/C28H43N3O5S/c1-4-16-31(17-5-2)37(34,35)18-10-15-28(33)30-26(20-23-11-7-6-8-12-23)27(32)22-29-21-24-13-9-14-25(19-24)36-3/h6-9,11-14,19,26-27,29,32H,4-5,10,15-18,20-22H2,1-3H3,(H,30,33)/t26-,27+/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	7.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE				Bioorg Med Chem Lett 17: 73-7 (2006) Article DOI: 10.1016/j.bmcl.2006.09.092 BindingDB Entry DOI: 10.7270/Q2FX793P
					More data for this Ligand-Target Pair