BDBM50129381 CHEMBL3627971

SMILES: CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@H](O)CN2c2ccccc2)cc1Cl

InChI Key: InChIKey=ONWRXUHMPCGBDB-YJBOKZPZSA-N

Data: 1 KI

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 1 hit for monomerid = 50129381   

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))	BDBM50129381 (CHEMBL3627971) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@H](O)CN2c2ccccc2)cc1Cl |r| Show InChI InChI=1S/C21H23Cl2N5O3/c1-12(29)26-19-16(22)7-13(8-17(19)23)10-25-21(24)27-20(31)18-9-15(30)11-28(18)14-5-3-2-4-6-14/h2-8,15,18,30H,9-11H2,1H3,(H,26,29)(H3,24,25,27,31)/t15-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair