BDBM50330340 (1R,5S)-N-cyclopropyl-N-(3-methoxy-2-methylbenzyl)-7-(4-(3-(2-methoxybenzyloxy)propoxy)phenyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide::CHEMBL1276282

SMILES: COc1ccccc1COCCCOc1ccc(cc1)C1=C([C@H]2CNC[C@@H](C1)N2)C(=O)N(Cc1cccc(OC)c1C)C1CC1

InChI Key: InChIKey=MHVMWVABGVAGAO-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50330340   

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))	BDBM50330340 ((1R,5S)-N-cyclopropyl-N-(3-methoxy-2-methylbenzyl)...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)C1=C([C@H]2CNC[C@@H](C1)N2)C(=O)N(Cc1cccc(OC)c1C)C1CC1 |r,t:22| Show InChI InChI=1S/C37H45N3O5/c1-25-27(9-6-11-34(25)42-2)23-40(30-14-15-30)37(41)36-32(20-29-21-38-22-33(36)39-29)26-12-16-31(17-13-26)45-19-7-18-44-24-28-8-4-5-10-35(28)43-3/h4-6,8-13,16-17,29-30,33,38-39H,7,14-15,18-24H2,1-3H3	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	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corp Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in buffer				J Med Chem 53: 7490-520 (2010) Article DOI: 10.1021/jm901885s BindingDB Entry DOI: 10.7270/Q2S75GKG
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