BDBM50392840 CHEMBL2151138

SMILES: CN1C(=O)C[C@](C)(N=C1N)c1cc(cs1)-c1cccc(c1)C#N

InChI Key: InChIKey=MLNWGLXMDFUREO-KRWDZBQOSA-N

Data: 1 KI  1 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 = 50392840   

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))	BDBM50392840 (CHEMBL2151138) Show SMILES CN1C(=O)C[C@](C)(N=C1N)c1cc(cs1)-c1cccc(c1)C#N |r,c:7| Show InChI InChI=1S/C17H16N4OS/c1-17(8-15(22)21(2)16(19)20-17)14-7-13(10-23-14)12-5-3-4-11(6-12)9-18/h3-7,10H,8H2,1-2H3,(H2,19,20)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 by FRET assay				ACS Med Chem Lett 3: 897-902 (2012) Article DOI: 10.1021/ml3001165 BindingDB Entry DOI: 10.7270/Q23779SN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50392840 (CHEMBL2151138) Show SMILES CN1C(=O)C[C@](C)(N=C1N)c1cc(cs1)-c1cccc(c1)C#N |r,c:7| Show InChI InChI=1S/C17H16N4OS/c1-17(8-15(22)21(2)16(19)20-17)14-7-13(10-23-14)12-5-3-4-11(6-12)9-18/h3-7,10H,8H2,1-2H3,(H2,19,20)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293 cells expressing APPswe/lon assessed as inhibition of amyloid beta-40 production				ACS Med Chem Lett 3: 897-902 (2012) Article DOI: 10.1021/ml3001165 BindingDB Entry DOI: 10.7270/Q23779SN
					More data for this Ligand-Target Pair