BDBM50137691 (S)-5-{(S)-2-[(S)-2-((S)-2-Amino-4-carboxy-butyrylamino)-3-methyl-butyrylamino]-3-(S)-carbamoyl-1-(S)-oxo-propylamino}-6-cyclohexyl-4-hydroxy-2-(1-hydroxy-1-methyl-ethyl)-hexanoic acid(R)-4-((R)-2-Amino-propionylamino)-4-((R)-1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::CHEMBL311262

SMILES: CC(C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O)C(C)(C)O

InChI Key: InChIKey=AMTGOMSZZWMQTI-GACBUXOZSA-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 = 50137691   

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))	BDBM50137691 ((S)-5-{(S)-2-[(S)-2-((S)-2-Amino-4-carboxy-butyryl...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O)C(C)(C)O Show InChI InChI=1S/C46H72N8O15/c1-24(2)38(54-41(63)29(47)16-18-36(57)58)44(66)52-32(23-35(48)56)43(65)51-31(20-26-12-8-6-9-13-26)34(55)22-28(46(4,5)69)40(62)49-25(3)39(61)50-30(17-19-37(59)60)42(64)53-33(45(67)68)21-27-14-10-7-11-15-27/h7,10-11,14-15,24-26,28-34,38,55,69H,6,8-9,12-13,16-23,47H2,1-5H3,(H2,48,56)(H,49,62)(H,50,61)(H,51,65)(H,52,66)(H,53,64)(H,54,63)(H,57,58)(H,59,60)(H,67,68)/t25-,28-,29+,30-,31+,32+,33-,34+,38+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Beta-secretase-1 in HEK293 (Human Embryonic Kidney) cell line.				Bioorg Med Chem Lett 14: 239-43 (2003) BindingDB Entry DOI: 10.7270/Q2MW2HP3
					More data for this Ligand-Target Pair