BDBM50012639 CHEMBL3261053

SMILES: [H][C@@]12C[C@@]1(N=C(N)SCC2)c1cccc(NC(=O)c2ccc(cn2)C#N)c1

InChI Key: InChIKey=XEVKKTZIPHIWIU-AUUYWEPGSA-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 = 50012639   

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 2 (Rattus norvegicus)	BDBM50012639 (CHEMBL3261053) Show SMILES [H][C@@]12C[C@@]1(N=C(N)SCC2)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 |r,t:5| Show InChI InChI=1S/C19H17N5OS/c20-10-12-4-5-16(22-11-12)17(25)23-15-3-1-2-13(8-15)19-9-14(19)6-7-26-18(21)24-19/h1-5,8,11,14H,6-7,9H2,(H2,21,24)(H,23,25)/t14-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of BACE2 in rat INS-1E cells assessed as TMEM27 cleavage preincubated for 2 hrs followed by doxycycline addition measured after 46 hrs by ...				Bioorg Med Chem Lett 24: 2033-45 (2014) Article DOI: 10.1016/j.bmcl.2014.03.025 BindingDB Entry DOI: 10.7270/Q2H41T0Z
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50012639 (CHEMBL3261053) Show SMILES [H][C@@]12C[C@@]1(N=C(N)SCC2)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 |r,t:5| Show InChI InChI=1S/C19H17N5OS/c20-10-12-4-5-16(22-11-12)17(25)23-15-3-1-2-13(8-15)19-9-14(19)6-7-26-18(21)24-19/h1-5,8,11,14H,6-7,9H2,(H2,21,24)(H,23,25)/t14-,19-/m1/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	31	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293 cells expressing APP695 assessed as inhibition of amyloid beta (1 to 40) production after 18 to 20 hrs by ELISA				Bioorg Med Chem Lett 24: 2033-45 (2014) Article DOI: 10.1016/j.bmcl.2014.03.025 BindingDB Entry DOI: 10.7270/Q2H41T0Z
					More data for this Ligand-Target Pair