BDBM50141553 5-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-4-carboxybutanamido)-3-methylbutanamido)-4-methylpentanamido)-2-hydroxy-4-phenylbutanamido)isophthalic acid::5-(3-{(S)-2-[(S)-2-((S)-2-Amino-4-(S,R)-carboxy-butyrylamino)-3-methyl-butyrylamino]-4-methyl-1-oxo-pentylamino}-2-hydroxy-4-phenyl-butyrylamino)-isophthalic acid::CHEMBL288919

SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O

InChI Key: InChIKey=PSCOCKHQPVMOFX-WZFFGLSISA-N

Data: 2 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 2 hits for monomerid = 50141553   

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))	BDBM50141553 (5-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-4-carboxyb...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C34H45N5O11/c1-17(2)12-25(38-31(45)27(18(3)4)39-29(43)23(35)10-11-26(40)41)30(44)37-24(13-19-8-6-5-7-9-19)28(42)32(46)36-22-15-20(33(47)48)14-21(16-22)34(49)50/h5-9,14-18,23-25,27-28,42H,10-13,35H2,1-4H3,(H,36,46)(H,37,44)(H,38,45)(H,39,43)(H,40,41)(H,47,48)(H,49,50)/t23-,24-,25-,27-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory concentration of compound against Beta-secretase 1 was evaluated				Bioorg Med Chem Lett 14: 1527-31 (2004) Article DOI: 10.1016/j.bmcl.2003.12.088 BindingDB Entry DOI: 10.7270/Q2V987H4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50141553 (5-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-4-carboxyb...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C34H45N5O11/c1-17(2)12-25(38-31(45)27(18(3)4)39-29(43)23(35)10-11-26(40)41)30(44)37-24(13-19-8-6-5-7-9-19)28(42)32(46)36-22-15-20(33(47)48)14-21(16-22)34(49)50/h5-9,14-18,23-25,27-28,42H,10-13,35H2,1-4H3,(H,36,46)(H,37,44)(H,38,45)(H,39,43)(H,40,41)(H,47,48)(H,49,50)/t23-,24-,25-,27-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 16: 2380-6 (2006) Article DOI: 10.1016/j.bmcl.2006.01.108 BindingDB Entry DOI: 10.7270/Q2TD9WXG
					More data for this Ligand-Target Pair