BDBM50421783 CHEMBL3142339::CHEMBL74979

SMILES: COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1

InChI Key: InChIKey=PHGDNPOOFYBGFL-UHFFFAOYSA-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 = 50421783   

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))	BDBM50421783 (CHEMBL3142339 | CHEMBL74979) Show SMILES COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1 |r| Show InChI InChI=1S/C42H63N5O10/c1-25(2)20-30(33(48)23-35(50)43-27(5)38(52)44-31(21-26(3)4)34(49)24-36(51)56-9)45-40(54)37(29-18-14-11-15-19-29)47-39(53)32(22-28-16-12-10-13-17-28)46-41(55)57-42(6,7)8/h10-19,25-27,30-34,37,48-49H,20-24H2,1-9H3,(H,43,50)(H,44,52)(H,45,54)(H,46,55)(H,47,53)	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	93	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI Recherche Curated by ChEMBL					Assay Description Inhibition of human plasma renin				J Med Chem 30: 2287-91 (1988) BindingDB Entry DOI: 10.7270/Q2D50P7G
					More data for this Ligand-Target Pair