BDBM50014142 6-Amino-2-(3-benzyl-2,5,9-trioxo-8-phenyl-[1,4]diazonan-1-yl)-hexanoic acid [2-(1H-indol-3-yl)-1-(3-methyl-butylcarbamoyl)-ethyl]-amide::CHEMBL312927

SMILES: CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)[C@H](Cc2ccccc2)NC(=O)CCC(c2ccccc2)C1=O

InChI Key: InChIKey=ONXYDVIDHDNVLL-GAXZXCJVSA-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 = 50014142   

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))	BDBM50014142 (6-Amino-2-(3-benzyl-2,5,9-trioxo-8-phenyl-[1,4]dia...) Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)[C@H](Cc2ccccc2)NC(=O)CCC(c2ccccc2)C1=O Show InChI InChI=1S/C42H52N6O5/c1-28(2)22-24-44-39(50)35(26-31-27-45-34-18-10-9-17-32(31)34)47-40(51)37(19-11-12-23-43)48-41(52)33(30-15-7-4-8-16-30)20-21-38(49)46-36(42(48)53)25-29-13-5-3-6-14-29/h3-10,13-18,27-28,33,35-37,45H,11-12,19-26,43H2,1-2H3,(H,44,50)(H,46,49)(H,47,51)/t33?,35-,36-,37-/m0/s1	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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2560-8 (1990) BindingDB Entry DOI: 10.7270/Q20V8BR8
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