BDBM19476 US8846658, 115::US8846658, 44

SMILES: Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F

InChI Key: InChIKey=RFBSKPMTVVJHML-SFHVURJKSA-N

Data: 2 IC50

PDB links: 49 PDB IDs match this monomer. 9 PDB IDs contain this monomer as substructures. 9 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 19476   

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))	BDBM19476 (US8846658, 115 | US8846658, 44) Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:25| Show InChI InChI=1S/C18H16ClF3N4O2/c1-9-4-10(19)6-24-15(9)16(27)25-11-2-3-13(20)12(5-11)18(17(21)22)8-28-7-14(23)26-18/h2-6,17H,7-8H2,1H3,(H2,23,26)(H,25,27)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	4.5	25
Novartis AG US Patent					Assay Description Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US8846658 (2014) BindingDB Entry DOI: 10.7270/Q2PN94BX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM19476 (US8846658, 115 | US8846658, 44) Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:25| Show InChI InChI=1S/C18H16ClF3N4O2/c1-9-4-10(19)6-24-15(9)16(27)25-11-2-3-13(20)12(5-11)18(17(21)22)8-28-7-14(23)26-18/h2-6,17H,7-8H2,1H3,(H2,23,26)(H,25,27)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	4.5	25
Novartis AG US Patent					Assay Description Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US8846658 (2014) BindingDB Entry DOI: 10.7270/Q2PN94BX
					More data for this Ligand-Target Pair