BDBM50274103 5-{(S)-2-[(3S,4S)-5-Benzyloxy-4-(3-dipropylcarbamoylbenzoylamino)-3-hydroxy-pentanoylamino]-3-methyl-butyrylamino}-isophthalic acid::CHEMBL447880

SMILES: CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COCc1ccccc1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O

InChI Key: InChIKey=JKLSCCHJYLRBOA-HSRBSRBISA-N

Data: 1 KI  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 2 hits for monomerid = 50274103   

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
Cathepsin D (Homo sapiens (Human))	BDBM50274103 (5-{(S)-2-[(3S,4S)-5-Benzyloxy-4-(3-dipropylcarbamo...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COCc1ccccc1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C39H48N4O10/c1-5-15-43(16-6-2)37(48)27-14-10-13-26(17-27)35(46)41-31(23-53-22-25-11-8-7-9-12-25)32(44)21-33(45)42-34(24(3)4)36(47)40-30-19-28(38(49)50)18-29(20-30)39(51)52/h7-14,17-20,24,31-32,34,44H,5-6,15-16,21-23H2,1-4H3,(H,40,47)(H,41,46)(H,42,45)(H,49,50)(H,51,52)/t31-,32-,34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem 16: 9471-86 (2008) Article DOI: 10.1016/j.bmc.2008.09.041 BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50274103 (5-{(S)-2-[(3S,4S)-5-Benzyloxy-4-(3-dipropylcarbamo...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COCc1ccccc1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C39H48N4O10/c1-5-15-43(16-6-2)37(48)27-14-10-13-26(17-27)35(46)41-31(23-53-22-25-11-8-7-9-12-25)32(44)21-33(45)42-34(24(3)4)36(47)40-30-19-28(38(49)50)18-29(20-30)39(51)52/h7-14,17-20,24,31-32,34,44H,5-6,15-16,21-23H2,1-4H3,(H,40,47)(H,41,46)(H,42,45)(H,49,50)(H,51,52)/t31-,32-,34-/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	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibition of human BACE1 expressed in Escherichia coli BL21(DE3) by resolved fluorescence assay				Bioorg Med Chem 16: 9471-86 (2008) Article DOI: 10.1016/j.bmc.2008.09.041 BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
					More data for this Ligand-Target Pair