BDBM50398679 CHEMBL2178151

SMILES: CC(C)Oc1cccc(c1)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(cs1)-c1cccc(c1)C#N

InChI Key: InChIKey=XVWWYKYWXIEDOL-HOFKKMOUSA-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 = 50398679   

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))	BDBM50398679 (CHEMBL2178151) Show SMILES CC(C)Oc1cccc(c1)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(cs1)-c1cccc(c1)C#N |r,c:19| Show InChI InChI=1S/C27H27N5O2S/c1-17(2)34-22-9-5-8-21(12-22)32-14-23-25(33)31(3)26(29)30-27(23,16-32)24-11-20(15-35-24)19-7-4-6-18(10-19)13-28/h4-12,15,17,23H,14,16H2,1-3H3,(H2,29,30)/t23-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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))	BDBM50398679 (CHEMBL2178151) Show SMILES CC(C)Oc1cccc(c1)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(cs1)-c1cccc(c1)C#N |r,c:19| Show InChI InChI=1S/C27H27N5O2S/c1-17(2)34-22-9-5-8-21(12-22)32-14-23-25(33)31(3)26(29)30-27(23,16-32)24-11-20(15-35-24)19-7-4-6-18(10-19)13-28/h4-12,15,17,23H,14,16H2,1-3H3,(H2,29,30)/t23-,27-/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	308	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