BDBM50330357 CHEMBL1276270::tert-butyl(6S,9S,12S)-9-((1H-imidazol-5-yl)methyl)-6-(((S)-1-(butylamino)-3-methyl-1-oxobutan-2-ylamino)methyl)-8,11-dioxo-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrobenzo[b][1,7,10]oxadiazacyclopentadecin-12-ylcarbamate

SMILES: CCCCNC(=O)[C@@H](NC[C@@H]1CCCCOc2ccccc2C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C

InChI Key: InChIKey=XASQIRCTBNBYRV-RLAGABBFSA-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 = 50330357   

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))	BDBM50330357 (CHEMBL1276270 | tert-butyl(6S,9S,12S)-9-((1H-imida...) Show SMILES CCCCNC(=O)[C@@H](NC[C@@H]1CCCCOc2ccccc2C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C |r| Show InChI InChI=1S/C35H55N7O6/c1-7-8-16-37-33(45)30(23(2)3)38-21-25-14-11-12-17-47-29-15-10-9-13-24(29)18-27(42-34(46)48-35(4,5)6)32(44)41-28(31(43)40-25)19-26-20-36-22-39-26/h9-10,13,15,20,22-23,25,27-28,30,38H,7-8,11-12,14,16-19,21H2,1-6H3,(H,36,39)(H,37,45)(H,40,43)(H,41,44)(H,42,46)/t25-,27-,28-,30-/m0/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	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corp Curated by ChEMBL					Assay Description Inhibition of renin in human plasma				J Med Chem 53: 7490-520 (2010) Article DOI: 10.1021/jm901885s BindingDB Entry DOI: 10.7270/Q2S75GKG
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