BDBM50134818 CHEMBL3746261

SMILES: CC(C)c1ccc(cc1)C(=O)O[C@H]1CN(C[C@@H]1Nc1nc2cc(F)ccc2[nH]1)C(=O)OC(C)(C)C

InChI Key: InChIKey=OWXJEEIJHWOZKB-VXKWHMMOSA-N

Data: 3 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 = 50134818   

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))	BDBM50134818 (CHEMBL3746261) Show SMILES CC(C)c1ccc(cc1)C(=O)O[C@H]1CN(C[C@@H]1Nc1nc2cc(F)ccc2[nH]1)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C26H31FN4O4/c1-15(2)16-6-8-17(9-7-16)23(32)34-22-14-31(25(33)35-26(3,4)5)13-21(22)30-24-28-19-11-10-18(27)12-20(19)29-24/h6-12,15,21-22H,13-14H2,1-5H3,(H2,28,29,30)/t21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Korea University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) by FRET assay				Bioorg Med Chem Lett 26: 51-4 (2015) BindingDB Entry DOI: 10.7270/Q2BC41CC
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50134818 (CHEMBL3746261) Show SMILES CC(C)c1ccc(cc1)C(=O)O[C@H]1CN(C[C@@H]1Nc1nc2cc(F)ccc2[nH]1)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C26H31FN4O4/c1-15(2)16-6-8-17(9-7-16)23(32)34-22-14-31(25(33)35-26(3,4)5)13-21(22)30-24-28-19-11-10-18(27)12-20(19)29-24/h6-12,15,21-22H,13-14H2,1-5H3,(H2,28,29,30)/t21-,22-/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	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of cathepsin D (unknown origin)				Bioorg Med Chem Lett 26: 51-4 (2015) BindingDB Entry DOI: 10.7270/Q2BC41CC
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50134818 (CHEMBL3746261) Show SMILES CC(C)c1ccc(cc1)C(=O)O[C@H]1CN(C[C@@H]1Nc1nc2cc(F)ccc2[nH]1)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C26H31FN4O4/c1-15(2)16-6-8-17(9-7-16)23(32)34-22-14-31(25(33)35-26(3,4)5)13-21(22)30-24-28-19-11-10-18(27)12-20(19)29-24/h6-12,15,21-22H,13-14H2,1-5H3,(H2,28,29,30)/t21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE2 (unknown origin)				Bioorg Med Chem Lett 26: 51-4 (2015) BindingDB Entry DOI: 10.7270/Q2BC41CC
					More data for this Ligand-Target Pair