BDBM50383844 CHEMBL2031140

SMILES: C[C@H]1C[C@]2(C1)C[C@H](NC[C@@H](O)[C@H](Cc1ccc(F)cc1)NC(C)=O)c1cc(CC(C)(C)C)cnc1O2

InChI Key: InChIKey=ZHVCBZIDBYSYJA-NORWIQRMSA-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 = 50383844   

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))	BDBM50383844 (CHEMBL2031140) Show SMILES C[C@H]1C[C@]2(C1)C[C@H](NC[C@@H](O)[C@H](Cc1ccc(F)cc1)NC(C)=O)c1cc(CC(C)(C)C)cnc1O2 |r,wU:6.7,1.0,wD:9.10,11.21,3.3,(1.21,-19.22,;.12,-20.31,;.12,-21.85,;-1.42,-21.85,;-1.42,-20.31,;-2.77,-21.09,;-4.11,-21.86,;-5.44,-21.1,;-6.77,-21.87,;-8.11,-21.11,;-8.12,-19.57,;-9.44,-21.88,;-9.43,-23.42,;-10.77,-24.2,;-12.11,-23.43,;-13.44,-24.21,;-13.43,-25.75,;-14.76,-26.53,;-12.08,-26.51,;-10.75,-25.73,;-10.78,-21.12,;-10.79,-19.58,;-12.13,-18.82,;-9.46,-18.8,;-4.09,-23.4,;-5.42,-24.17,;-5.43,-25.72,;-6.76,-26.49,;-6.76,-28.03,;-8.1,-28.8,;-5.43,-28.8,;-6.77,-29.56,;-4.09,-26.49,;-2.75,-25.72,;-2.75,-24.17,;-1.42,-23.4,)| Show InChI InChI=1S/C29H40FN3O3/c1-18-12-29(13-18)15-25(23-10-21(14-28(3,4)5)16-32-27(23)36-29)31-17-26(35)24(33-19(2)34)11-20-6-8-22(30)9-7-20/h6-10,16,18,24-26,31,35H,11-15,17H2,1-5H3,(H,33,34)/t18-,24-,25-,26+,29-/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	8	n/a	n/a	n/a	n/a	n/a	n/a
Envoy Therapeutics Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 22: 3607-11 (2012) Article DOI: 10.1016/j.bmcl.2012.04.060 BindingDB Entry DOI: 10.7270/Q2BP03TM
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50383844 (CHEMBL2031140) Show SMILES C[C@H]1C[C@]2(C1)C[C@H](NC[C@@H](O)[C@H](Cc1ccc(F)cc1)NC(C)=O)c1cc(CC(C)(C)C)cnc1O2 |r,wU:6.7,1.0,wD:9.10,11.21,3.3,(1.21,-19.22,;.12,-20.31,;.12,-21.85,;-1.42,-21.85,;-1.42,-20.31,;-2.77,-21.09,;-4.11,-21.86,;-5.44,-21.1,;-6.77,-21.87,;-8.11,-21.11,;-8.12,-19.57,;-9.44,-21.88,;-9.43,-23.42,;-10.77,-24.2,;-12.11,-23.43,;-13.44,-24.21,;-13.43,-25.75,;-14.76,-26.53,;-12.08,-26.51,;-10.75,-25.73,;-10.78,-21.12,;-10.79,-19.58,;-12.13,-18.82,;-9.46,-18.8,;-4.09,-23.4,;-5.42,-24.17,;-5.43,-25.72,;-6.76,-26.49,;-6.76,-28.03,;-8.1,-28.8,;-5.43,-28.8,;-6.77,-29.56,;-4.09,-26.49,;-2.75,-25.72,;-2.75,-24.17,;-1.42,-23.4,)| Show InChI InChI=1S/C29H40FN3O3/c1-18-12-29(13-18)15-25(23-10-21(14-28(3,4)5)16-32-27(23)36-29)31-17-26(35)24(33-19(2)34)11-20-6-8-22(30)9-7-20/h6-10,16,18,24-26,31,35H,11-15,17H2,1-5H3,(H,33,34)/t18-,24-,25-,26+,29-/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	9	n/a	n/a	n/a	n/a	n/a	n/a
Envoy Therapeutics Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 22: 3607-11 (2012) Article DOI: 10.1016/j.bmcl.2012.04.060 BindingDB Entry DOI: 10.7270/Q2BP03TM
					More data for this Ligand-Target Pair