BDBM50129292 CHEMBL3628122

SMILES: CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)C2C3CC3CN2c2ccccc2)cc1Cl

InChI Key: InChIKey=QLQBQRDFRJKVPY-UHFFFAOYSA-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 = 50129292   

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))	BDBM50129292 (CHEMBL3628122) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)C2C3CC3CN2c2ccccc2)cc1Cl Show InChI InChI=1S/C22H23Cl2N5O2/c1-12(30)27-19-17(23)7-13(8-18(19)24)10-26-22(25)28-21(31)20-16-9-14(16)11-29(20)15-5-3-2-4-6-15/h2-8,14,16,20H,9-11H2,1H3,(H,27,30)(H3,25,26,28,31)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	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))	BDBM50129292 (CHEMBL3628122) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)C2C3CC3CN2c2ccccc2)cc1Cl Show InChI InChI=1S/C22H23Cl2N5O2/c1-12(30)27-19-17(23)7-13(8-18(19)24)10-26-22(25)28-21(31)20-16-9-14(16)11-29(20)15-5-3-2-4-6-15/h2-8,14,16,20H,9-11H2,1H3,(H,27,30)(H3,25,26,28,31)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	360	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