BDBM50016067 CHEMBL435266::[1-Benzyl-4-(3-{1-[4-(benzyloxycarbonylamino-methyl)-benzylcarbamoyl]-3-methyl-butylcarbamoyl}-1-cyclohexylmethyl-2-hydroxy-propylcarbamoyl)-2-hydroxy-but-3-enyl]-carbamic acid tert-butyl ester : (0.45 chloroform)

SMILES: CC(C)C[C@H](NC(=O)C[C@@H](O)C(CC1CCCCC1)NC(=O)\C=C\C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CNC(=O)OCc2ccccc2)cc1

InChI Key: InChIKey=CQVRCEXSPXWFEA-SRQLEFBDSA-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 = 50016067   

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))	BDBM50016067 (CHEMBL435266 | [1-Benzyl-4-(3-{1-[4-(benzyloxycarb...) Show SMILES CC(C)C[C@H](NC(=O)C[C@@H](O)C(CC1CCCCC1)NC(=O)\C=C\C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CNC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C50H69N5O9/c1-34(2)27-42(47(60)51-31-37-21-23-38(24-22-37)32-52-48(61)63-33-39-19-13-8-14-20-39)54-46(59)30-44(57)41(29-36-17-11-7-12-18-36)53-45(58)26-25-43(56)40(28-35-15-9-6-10-16-35)55-49(62)64-50(3,4)5/h6,8-10,13-16,19-26,34,36,40-44,56-57H,7,11-12,17-18,27-33H2,1-5H3,(H,51,60)(H,52,61)(H,53,58)(H,54,59)(H,55,62)/b26-25+/t40-,41?,42-,43?,44+/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	470	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