BDBM50016052 (1-Benzyl-4-{1-[2-(1-benzylcarbamoyl-3-methyl-butylcarbamoyl)-1-hydroxy-ethyl]-3-methyl-butylcarbamoyl}-but-2-enyl)-carbamic acid tert-butyl ester::CHEMBL168714

SMILES: CC(C)C[C@H](NC(=O)C\C=C\[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1

InChI Key: InChIKey=UYUVJSRSLLBWOG-BFBKQGLDSA-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 = 50016052   

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))	BDBM50016052 ((1-Benzyl-4-{1-[2-(1-benzylcarbamoyl-3-methyl-buty...) Show SMILES CC(C)C[C@H](NC(=O)C\C=C\[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1 Show InChI InChI=1S/C38H56N4O6/c1-26(2)21-31(33(43)24-35(45)42-32(22-27(3)4)36(46)39-25-29-17-12-9-13-18-29)41-34(44)20-14-19-30(23-28-15-10-8-11-16-28)40-37(47)48-38(5,6)7/h8-19,26-27,30-33,43H,20-25H2,1-7H3,(H,39,46)(H,40,47)(H,41,44)(H,42,45)/b19-14+/t30-,31+,32+,33?/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	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibitory activity against human renin				J Med Chem 33: 838-45 (1990) BindingDB Entry DOI: 10.7270/Q2T152M6
					More data for this Ligand-Target Pair