BDBM15781 3-N-benzylpyridine-2,3-diamine::3-Substituted 2-Aminopyridine 5::aminopyridine 3::fragment 3 (J. med. chem.,50,1116)

SMILES: Nc1ncccc1NCc1ccccc1

InChI Key: InChIKey=MUKAGFLFIMVSQN-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer. 4 PDB IDs contain this monomer as substructures. 4 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 15781   

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))	BDBM15781 (3-N-benzylpyridine-2,3-diamine | 3-Substituted 2-A...) Show SMILES Nc1ncccc1NCc1ccccc1 Show InChI InChI=1S/C12H13N3/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8,15H,9H2,(H2,13,14)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	3.10E+5	n/a	n/a	n/a	n/a	5.0	22
Astex					Assay Description Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ...				J Med Chem 50: 1116-23 (2007) Article DOI: 10.1021/jm0611962 BindingDB Entry DOI: 10.7270/Q2Q23XHV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM15781 (3-N-benzylpyridine-2,3-diamine | 3-Substituted 2-A...) Show SMILES Nc1ncccc1NCc1ccccc1 Show InChI InChI=1S/C12H13N3/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8,15H,9H2,(H2,13,14)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	3.10E+5	n/a	n/a	n/a	n/a	5.0	22
Astex					Assay Description Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ...				J Med Chem 50: 1124-32 (2007) Article DOI: 10.1021/jm061197u BindingDB Entry DOI: 10.7270/Q2TT4P6T
					More data for this Ligand-Target Pair				3D Structure (crystal)