Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-secretase 1   (396/396 = 100%)† (Homo sapiens (Human))	BDBM50397740 (CHEMBL2181988) Show SMILES O=C1Nc2ccccc2[C@]11CCNC1 |r| Show InChI InChI=1S/C11H12N2O/c14-10-11(5-6-12-7-11)8-3-1-2-4-9(8)13-10/h1-4,12H,5-7H2,(H,13,14)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.10E+6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant BACE1 using NH-SEVNLAAEF-COOH as substrate after 30 mins by NMR analysis				J Med Chem 55: 9069-88 (2012) Article DOI: 10.1021/jm201715d BindingDB Entry DOI: 10.7270/Q21R6RND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1   (396/396 = 100%)† (Homo sapiens (Human))	BDBM50397740 (CHEMBL2181988) Show SMILES O=C1Nc2ccccc2[C@]11CCNC1 |r| Show InChI InChI=1S/C11H12N2O/c14-10-11(5-6-12-7-11)8-3-1-2-4-9(8)13-10/h1-4,12H,5-7H2,(H,13,14)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.40E+6	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant BACE1 binding to biotinylated stat-val peptide after 6 mins by octet assay				J Med Chem 55: 9069-88 (2012) Article DOI: 10.1021/jm201715d BindingDB Entry DOI: 10.7270/Q21R6RND
					More data for this Ligand-Target Pair				3D Structure (crystal)

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