BDBM50393893 CHEMBL2158258

SMILES: CC(C)Cn1cc2[C@@H](CC(C)(C)Cc2n1)NC[C@@H](O)[C@H](Cc1ccccc1)NC(C)=O

InChI Key: InChIKey=PISWYTCLVHPEEE-WMTXJRDZSA-N

Data: 1 KI  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 3 hits for monomerid = 50393893   

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))	BDBM50393893 (CHEMBL2158258) Show SMILES CC(C)Cn1cc2[C@@H](CC(C)(C)Cc2n1)NC[C@@H](O)[C@H](Cc1ccccc1)NC(C)=O |r| Show InChI InChI=1S/C25H38N4O2/c1-17(2)15-29-16-20-22(12-25(4,5)13-23(20)28-29)26-14-24(31)21(27-18(3)30)11-19-9-7-6-8-10-19/h6-10,16-17,21-22,24,26,31H,11-15H2,1-5H3,(H,27,30)/t21-,22+,24+/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	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of human cathepsin D using DAB-CYL-Glu-ArG-Nle-Phe-Leu-Ser-Phe-Pro-EDANS incubated for 20 mins prior to substrate addition measured after ...				Bioorg Med Chem Lett 22: 6721-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.097 BindingDB Entry DOI: 10.7270/Q2MS3TVD
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50393893 (CHEMBL2158258) Show SMILES CC(C)Cn1cc2[C@@H](CC(C)(C)Cc2n1)NC[C@@H](O)[C@H](Cc1ccccc1)NC(C)=O |r| Show InChI InChI=1S/C25H38N4O2/c1-17(2)15-29-16-20-22(12-25(4,5)13-23(20)28-29)26-14-24(31)21(27-18(3)30)11-19-9-7-6-8-10-19/h6-10,16-17,21-22,24,26,31H,11-15H2,1-5H3,(H,27,30)/t21-,22+,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of BACE2				Bioorg Med Chem Lett 22: 6721-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.097 BindingDB Entry DOI: 10.7270/Q2MS3TVD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50393893 (CHEMBL2158258) Show SMILES CC(C)Cn1cc2[C@@H](CC(C)(C)Cc2n1)NC[C@@H](O)[C@H](Cc1ccccc1)NC(C)=O |r| Show InChI InChI=1S/C25H38N4O2/c1-17(2)15-29-16-20-22(12-25(4,5)13-23(20)28-29)26-14-24(31)21(27-18(3)30)11-19-9-7-6-8-10-19/h6-10,16-17,21-22,24,26,31H,11-15H2,1-5H3,(H,27,30)/t21-,22+,24+/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	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of human BACE1 expressed in Escherichia coli BL21(DE3) using Eu-EVNLDAEFK as substrate incubated for 30 mins prior to substrate addition m...				Bioorg Med Chem Lett 22: 6721-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.097 BindingDB Entry DOI: 10.7270/Q2MS3TVD
					More data for this Ligand-Target Pair