BDBM50014141 6-Amino-2-(3,6-dibenzyl-7-methyl-2,5,9-trioxo-[1,4]diazonan-1-yl)-hexanoic acid [2-(1H-indol-3-yl)-1-(3-methyl-butylcarbamoyl)-ethyl]-amide::CHEMBL264225

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

InChI Key: InChIKey=HSOSMQBCQQNBJI-HQPLKVBUSA-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 = 50014141   

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))	BDBM50014141 (6-Amino-2-(3,6-dibenzyl-7-methyl-2,5,9-trioxo-[1,4...) Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CN[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O Show InChI InChI=1S/C42H53N7O5/c1-28(2)20-22-44-39(51)35(25-31-26-45-33-18-10-9-17-32(31)33)47-41(53)37(19-11-12-21-43)49-38(50)27-46-34(23-29-13-5-3-6-14-29)40(52)48-36(42(49)54)24-30-15-7-4-8-16-30/h3-10,13-18,26,28,34-37,45-46H,11-12,19-25,27,43H2,1-2H3,(H,44,51)(H,47,53)(H,48,52)/t34-,35+,36+,37+/m1/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	2.74E+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
					More data for this Ligand-Target Pair