BDBM50129286 CHEMBL3627967

SMILES: CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(F)cc2)cc1Cl

InChI Key: InChIKey=VLUDMIQMJKXOMK-SFHVURJKSA-N

Data: 2 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 2 hits for monomerid = 50129286   

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))	BDBM50129286 (CHEMBL3627967) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(F)cc2)cc1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O2/c1-12(30)27-19-16(22)9-13(10-17(19)23)11-26-21(25)28-20(31)18-3-2-8-29(18)15-6-4-14(24)5-7-15/h4-7,9-10,18H,2-3,8,11H2,1H3,(H,27,30)(H3,25,26,28,31)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	450	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129286 (CHEMBL3627967) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(F)cc2)cc1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O2/c1-12(30)27-19-16(22)9-13(10-17(19)23)11-26-21(25)28-20(31)18-3-2-8-29(18)15-6-4-14(24)5-7-15/h4-7,9-10,18H,2-3,8,11H2,1H3,(H,27,30)(H3,25,26,28,31)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.4	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 6.4 after 1.5 hrs by Microbeta liquid scintillation counti...				Bioorg Med Chem Lett 25: 5040-7 (2015) BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair