BDBM50129284 CHEMBL3627965

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

InChI Key: InChIKey=PBOBULCZNUVQFB-IBGZPJMESA-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 = 50129284   

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))	BDBM50129284 (CHEMBL3627965) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(C)cc2)cc1Cl |r| Show InChI InChI=1S/C22H25Cl2N5O2/c1-13-5-7-16(8-6-13)29-9-3-4-19(29)21(31)28-22(25)26-12-15-10-17(23)20(18(24)11-15)27-14(2)30/h5-8,10-11,19H,3-4,9,12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.40E+3	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))	BDBM50129284 (CHEMBL3627965) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(C)cc2)cc1Cl |r| Show InChI InChI=1S/C22H25Cl2N5O2/c1-13-5-7-16(8-6-13)29-9-3-4-19(29)21(31)28-22(25)26-12-15-10-17(23)20(18(24)11-15)27-14(2)30/h5-8,10-11,19H,3-4,9,12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.40E+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