BDBM50398694 CHEMBL2178143

SMILES: CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncc(C)cn1)c1cc(cs1)-c1cccc(c1)C#N

InChI Key: InChIKey=LATOBPWZBWTWEM-MBSDFSHPSA-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 = 50398694   

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))	BDBM50398694 (CHEMBL2178143) Show SMILES CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncc(C)cn1)c1cc(cs1)-c1cccc(c1)C#N |r,c:3| Show InChI InChI=1S/C23H21N7OS/c1-14-9-26-22(27-10-14)30-11-18-20(31)29(2)21(25)28-23(18,13-30)19-7-17(12-32-19)16-5-3-4-15(6-16)8-24/h3-7,9-10,12,18H,11,13H2,1-2H3,(H2,25,28)/t18-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE1				J Med Chem 55: 9331-45 (2012) Article DOI: 10.1021/jm301039c BindingDB Entry DOI: 10.7270/Q2JH3NB7
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398694 (CHEMBL2178143) Show SMILES CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncc(C)cn1)c1cc(cs1)-c1cccc(c1)C#N |r,c:3| Show InChI InChI=1S/C23H21N7OS/c1-14-9-26-22(27-10-14)30-11-18-20(31)29(2)21(25)28-23(18,13-30)19-7-17(12-32-19)16-5-3-4-15(6-16)8-24/h3-7,9-10,12,18H,11,13H2,1-2H3,(H2,25,28)/t18-,23-/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	29	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293 cells				J Med Chem 55: 9331-45 (2012) Article DOI: 10.1021/jm301039c BindingDB Entry DOI: 10.7270/Q2JH3NB7
					More data for this Ligand-Target Pair