BDBM50024146 CHEMBL294744::CHEMBL3142169::{1-[1-[1-(2,2-Difluoro-2-{2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butylcarbamoyl}-acetyl)-3-methyl-butylcarbamoyl]-2-(2H-imidazol-2-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester

SMILES: CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1

InChI Key: InChIKey=WMCAEQASQDNTCO-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50024146   

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))	BDBM50024146 (CHEMBL3142169 | {1-[1-[1-(2,2-Difluoro-2-{2-methyl...) Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 |c:24,26| Show InChI InChI=1S/C40H54F2N8O7/c1-8-25(4)32(36(54)46-23-27-16-12-13-17-43-27)50-37(55)40(41,42)33(51)28(20-24(2)3)47-35(53)30(22-31-44-18-19-45-31)48-34(52)29(21-26-14-10-9-11-15-26)49-38(56)57-39(5,6)7/h9-19,24-25,28-32H,8,20-23H2,1-7H3,(H,46,54)(H,47,53)(H,48,52)(H,49,56)(H,50,55)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human plasma renin				J Med Chem 29: 2080-7 (1986) BindingDB Entry DOI: 10.7270/Q25X29G7
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