BDBM228476 US9556135, 197

SMILES: CCc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1

InChI Key: InChIKey=LUSNYVUXJUJPLQ-NRFANRHFSA-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 = 228476   

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))	BDBM228476 (US9556135, 197) Show SMILES CCc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:32| Show InChI InChI=1S/C21H23ClF2N4O3S/c1-4-12-7-13(22)9-26-17(12)18(29)27-14-5-6-16(24)15(8-14)21(10-23)11-32(30,31)20(2,3)19(25)28-21/h5-9H,4,10-11H2,1-3H3,(H2,25,28)(H,27,29)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.16E+5	n/a	n/a	n/a	n/a	3.5	n/a
Amgen, Inc. US Patent					Assay Description Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228476 (US9556135, 197) Show SMILES CCc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:32| Show InChI InChI=1S/C21H23ClF2N4O3S/c1-4-12-7-13(22)9-26-17(12)18(29)27-14-5-6-16(24)15(8-14)21(10-23)11-32(30,31)20(2,3)19(25)28-21/h5-9H,4,10-11H2,1-3H3,(H2,25,28)(H,27,29)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.46	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair