BDBM50016064 (1-Benzyl-4-{1-[2-(1-benzylcarbamoyl-3-methyl-butylcarbamoyl)-1-hydroxy-ethyl]-3-methyl-butylcarbamoyl}-2-hydroxy-but-3-enyl)-carbamic acid tert-butyl ester::CHEMBL353106

SMILES: CC(C)C[C@H](NC(=O)\C=C\C(O)[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=DSJXPTBHMCLQOG-QPJCSUJISA-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 = 50016064   

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))	BDBM50016064 ((1-Benzyl-4-{1-[2-(1-benzylcarbamoyl-3-methyl-buty...) Show SMILES CC(C)C[C@H](NC(=O)\C=C\C(O)[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/C38H56N4O7/c1-25(2)20-29(33(44)23-35(46)41-31(21-26(3)4)36(47)39-24-28-16-12-9-13-17-28)40-34(45)19-18-32(43)30(22-27-14-10-8-11-15-27)42-37(48)49-38(5,6)7/h8-19,25-26,29-33,43-44H,20-24H2,1-7H3,(H,39,47)(H,40,45)(H,41,46)(H,42,48)/b19-18+/t29-,30-,31-,32?,33?/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	2.10E+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