BDBM50298194 CHEMBL561141::methyl 5-(((2S,3S,5R)-2-amino-6-(butylamino)-3-hydroxy-5-methyl-6-oxohexyl)(isopropyl)carbamoyl)-2-methoxybenzylcarbamate

SMILES: CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(CNC(=O)OC)c1

InChI Key: InChIKey=BPPJAUKVTMVYPP-QMMLZNLJSA-N

Data: 3 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 3 hits for monomerid = 50298194   

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
Renin (Homo sapiens (Human))	BDBM50298194 (CHEMBL561141 | methyl 5-(((2S,3S,5R)-2-amino-6-(bu...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(CNC(=O)OC)c1 |r| Show InChI InChI=1S/C25H42N4O6/c1-7-8-11-27-23(31)17(4)12-21(30)20(26)15-29(16(2)3)24(32)18-9-10-22(34-5)19(13-18)14-28-25(33)35-6/h9-10,13,16-17,20-21,30H,7-8,11-12,14-15,26H2,1-6H3,(H,27,31)(H,28,33)/t17-,20+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki International University Curated by ChEMBL					Assay Description Inhibition of purified recombinant human renin				Bioorg Med Chem Lett 19: 4863-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.128 BindingDB Entry DOI: 10.7270/Q2F18ZRG
					More data for this Ligand-Target Pair
Cathepsin D (Bos taurus)	BDBM50298194 (CHEMBL561141 | methyl 5-(((2S,3S,5R)-2-amino-6-(bu...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(CNC(=O)OC)c1 |r| Show InChI InChI=1S/C25H42N4O6/c1-7-8-11-27-23(31)17(4)12-21(30)20(26)15-29(16(2)3)24(32)18-9-10-22(34-5)19(13-18)14-28-25(33)35-6/h9-10,13,16-17,20-21,30H,7-8,11-12,14-15,26H2,1-6H3,(H,27,31)(H,28,33)/t17-,20+,21+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki International University Curated by ChEMBL					Assay Description Inhibition of bovine cathepsin D				Bioorg Med Chem Lett 19: 4863-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.128 BindingDB Entry DOI: 10.7270/Q2F18ZRG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50298194 (CHEMBL561141 | methyl 5-(((2S,3S,5R)-2-amino-6-(bu...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(CNC(=O)OC)c1 |r| Show InChI InChI=1S/C25H42N4O6/c1-7-8-11-27-23(31)17(4)12-21(30)20(26)15-29(16(2)3)24(32)18-9-10-22(34-5)19(13-18)14-28-25(33)35-6/h9-10,13,16-17,20-21,30H,7-8,11-12,14-15,26H2,1-6H3,(H,27,31)(H,28,33)/t17-,20+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki International University Curated by ChEMBL					Assay Description Inhibition of human plasma renin				Bioorg Med Chem Lett 19: 4863-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.128 BindingDB Entry DOI: 10.7270/Q2F18ZRG
					More data for this Ligand-Target Pair