BDBM17945 (2S,4S,5S)-5-amino-N-butyl-4-hydroxy-9-[(2S)-2-[(methoxymethoxy)methyl]-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-7,7-dimethyl-9-oxo-2-(propan-2-yl)nonanamide::Renin nonpeptide inhibitor, 5

SMILES: CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@@H](COCOC)Oc2ccccc12)C(C)C

InChI Key: InChIKey=QQNIINAKKJDPJB-LCXINAFSSA-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 = 17945   

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
Pepsin A (Porcine)	BDBM17945 ((2S,4S,5S)-5-amino-N-butyl-4-hydroxy-9-[(2S)-2-[(m...) Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@@H](COCOC)Oc2ccccc12)C(C)C |r| Show InChI InChI=1S/C29H49N3O6/c1-7-8-13-31-28(35)22(20(2)3)14-25(33)23(30)15-29(4,5)16-27(34)32-17-21(18-37-19-36-6)38-26-12-10-9-11-24(26)32/h9-12,20-23,25,33H,7-8,13-19,30H2,1-6H3,(H,31,35)/t21-,22-,23-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	2.0	37
Novartis Pharmaceuticals					Assay Description In vitro potencies of compounds against purified porcine pepsin were determined by its cleavage of substrate hemoglobin. After incubation, proteins w...				Chem Biol 7: 493-504 (2000) Article DOI: 10.1016/S1074-5521(00)00134-4 BindingDB Entry DOI: 10.7270/Q2V40SGJ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM17945 ((2S,4S,5S)-5-amino-N-butyl-4-hydroxy-9-[(2S)-2-[(m...) Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@@H](COCOC)Oc2ccccc12)C(C)C |r| Show InChI InChI=1S/C29H49N3O6/c1-7-8-13-31-28(35)22(20(2)3)14-25(33)23(30)15-29(4,5)16-27(34)32-17-21(18-37-19-36-6)38-26-12-10-9-11-24(26)32/h9-12,20-23,25,33H,7-8,13-19,30H2,1-6H3,(H,31,35)/t21-,22-,23-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...				Chem Biol 7: 493-504 (2000) Article DOI: 10.1016/S1074-5521(00)00134-4 BindingDB Entry DOI: 10.7270/Q2V40SGJ
					More data for this Ligand-Target Pair