BDBM50010898 7-Cyclohexyl-3-hydroxy-4-[2-(8-isobutyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-yl-propionylamino]-6-methyl-heptanoic acid [1-(3-aminomethyl-benzylcarbamoyl)-3-methyl-butyl]-amide::CHEMBL41567

SMILES: CC(C)CC(NC(=O)CC(O)C(CC(C)CC1CCCCC1)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1)C(=O)NCc1cccc(CN)c1

InChI Key: InChIKey=WDUMVJRIAGVQSC-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 = 50010898   

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))	BDBM50010898 (7-Cyclohexyl-3-hydroxy-4-[2-(8-isobutyl-6-phenyl-[...) Show SMILES CC(C)CC(NC(=O)CC(O)C(CC(C)CC1CCCCC1)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1)C(=O)NCc1cccc(CN)c1 Show InChI InChI=1S/C51H69N9O4/c1-33(2)22-43-49-59-58-48(60(49)32-45(55-43)40-19-10-7-11-20-40)41(27-39-18-13-21-53-30-39)50(63)57-42(25-35(5)24-36-14-8-6-9-15-36)46(61)28-47(62)56-44(23-34(3)4)51(64)54-31-38-17-12-16-37(26-38)29-52/h7,10-13,16-21,26,30,32-36,41-42,44,46,61H,6,8-9,14-15,22-25,27-29,31,52H2,1-5H3,(H,54,64)(H,56,62)(H,57,63)	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 34: 151-7 (1991) BindingDB Entry DOI: 10.7270/Q2251H5S
					More data for this Ligand-Target Pair