BDBM50421772 CHEMBL3142323::CHEMBL75470

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)c1cccs1

InChI Key: InChIKey=GRQGOTDUULJPEJ-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 = 50421772   

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))	BDBM50421772 (CHEMBL3142323 | CHEMBL75470) 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)c1cccs1 |r| Show InChI InChI=1S/C40H61N5O10S/c1-23(2)18-27(30(46)21-33(48)41-25(5)36(50)42-28(19-24(3)4)31(47)22-34(49)54-9)43-38(52)35(32-16-13-17-56-32)45-37(51)29(20-26-14-11-10-12-15-26)44-39(53)55-40(6,7)8/h10-17,23-25,27-31,35,46-47H,18-22H2,1-9H3,(H,41,48)(H,42,50)(H,43,52)(H,44,53)(H,45,51)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	251	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