Identical Ligands in BindingDB

Found 1 hit 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   (406/406 = 100%)† (Homo sapiens (Human))	BDBM50324926 ((S)-3-(2-Amino-5-chloro-benzoimidazol-1-yl)-pentan...) Show SMILES CC[C@@H](CC(=O)NC1C2CC3CC(C2)CC1C3)n1c(N)nc2cc(Cl)ccc12 |r,wU:2.19,TLB:16:15:13:9.10.11,6:7:9.16.10:14.12.13,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11,(3.24,-6.55,;4.57,-5.76,;5.9,-6.53,;7.23,-5.74,;8.57,-6.5,;8.58,-8.04,;9.9,-5.72,;11.24,-6.48,;12.43,-5.2,;13.76,-5.68,;15.16,-5.34,;15.17,-3.81,;13.77,-3.24,;12.43,-3.71,;12.73,-4.46,;12.74,-6.06,;14.14,-6.61,;5.92,-8.07,;6.83,-9.32,;8.37,-9.32,;5.92,-10.58,;4.44,-10.1,;3.11,-10.87,;1.78,-10.1,;.44,-10.87,;1.78,-8.56,;3.11,-7.78,;4.44,-8.55,)| Show InChI InChI=1S/C22H29ClN4O/c1-2-17(27-19-4-3-16(23)10-18(19)25-22(27)24)11-20(28)26-21-14-6-12-5-13(8-14)9-15(21)7-12/h3-4,10,12-15,17,21H,2,5-9,11H2,1H3,(H2,24,25)(H,26,28)/t12?,13?,14?,15?,17-,21?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Evotec UK Ltd Curated by ChEMBL					Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay				Bioorg Med Chem Lett 20: 5329-33 (2010) Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7
					More data for this Ligand-Target Pair				3D Structure (crystal)

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