BDBM50451850 CHEMBL2114169

SMILES: CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccncc1

InChI Key: InChIKey=WWRRFQHCNOJJJP-QPOBTHIWSA-N

Data: 1 IC50

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 1 hit for monomerid = 50451850   

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))	BDBM50451850 (CHEMBL2114169) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccncc1 Show InChI InChI=1S/C37H56N6O7/c1-22(2)30(34(47)39-21-27-15-17-38-18-16-27)42-32(45)24(5)19-29(44)28(20-26-13-11-10-12-14-26)41-33(46)25(6)40-35(48)31(23(3)4)43-36(49)50-37(7,8)9/h10-18,22-25,28-31,44H,19-21H2,1-9H3,(H,39,47)(H,40,48)(H,41,46)(H,42,45)(H,43,49)/t24-,25-,28+,29+,30+,31+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-secretase 1 expressed in HEK293 (Human Embryonic Kidney) cells				Bioorg Med Chem Lett 14: 239-43 (2003) BindingDB Entry DOI: 10.7270/Q2MW2HP3
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