BDBM50298197 CHEMBL550066::N-((2S,3S,5R)-2-amino-6-(butylamino)-3-hydroxy-5-methyl-6-oxohexyl)-4-ethyl-N-isopropyl-3-(3-methoxypropoxy)benzamide

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

InChI Key: InChIKey=ARBJTFAFEPWZAO-QDSKXPNFSA-N

Data: 4 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 4 hits for monomerid = 50298197   

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))	BDBM50298197 (CHEMBL550066 | N-((2S,3S,5R)-2-amino-6-(butylamino...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(CC)c(OCCCOC)c1 |r| Show InChI InChI=1S/C27H47N3O5/c1-7-9-13-29-26(32)20(5)16-24(31)23(28)18-30(19(3)4)27(33)22-12-11-21(8-2)25(17-22)35-15-10-14-34-6/h11-12,17,19-20,23-24,31H,7-10,13-16,18,28H2,1-6H3,(H,29,32)/t20-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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				3D Structure (docked)
Renin (Rattus norvegicus)	BDBM50298197 (CHEMBL550066 | N-((2S,3S,5R)-2-amino-6-(butylamino...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(CC)c(OCCCOC)c1 |r| Show InChI InChI=1S/C27H47N3O5/c1-7-9-13-29-26(32)20(5)16-24(31)23(28)18-30(19(3)4)27(33)22-12-11-21(8-2)25(17-22)35-15-10-14-34-6/h11-12,17,19-20,23-24,31H,7-10,13-16,18,28H2,1-6H3,(H,29,32)/t20-,23+,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki International University Curated by ChEMBL					Assay Description Inhibition of rat 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)	BDBM50298197 (CHEMBL550066 | N-((2S,3S,5R)-2-amino-6-(butylamino...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(CC)c(OCCCOC)c1 |r| Show InChI InChI=1S/C27H47N3O5/c1-7-9-13-29-26(32)20(5)16-24(31)23(28)18-30(19(3)4)27(33)22-12-11-21(8-2)25(17-22)35-15-10-14-34-6/h11-12,17,19-20,23-24,31H,7-10,13-16,18,28H2,1-6H3,(H,29,32)/t20-,23+,24+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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))	BDBM50298197 (CHEMBL550066 | N-((2S,3S,5R)-2-amino-6-(butylamino...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(CC)c(OCCCOC)c1 |r| Show InChI InChI=1S/C27H47N3O5/c1-7-9-13-29-26(32)20(5)16-24(31)23(28)18-30(19(3)4)27(33)22-12-11-21(8-2)25(17-22)35-15-10-14-34-6/h11-12,17,19-20,23-24,31H,7-10,13-16,18,28H2,1-6H3,(H,29,32)/t20-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	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				3D Structure (docked)