BDBM50053907 4-Hydroxy-3-(1-phenyl-propyl)-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyran-2-one::CHEMBL422614

SMILES: CCC(C1C(=O)OC2CCCCCC2C1=O)c1ccccc1

InChI Key: InChIKey=HZPAGLACAXSJNU-UHFFFAOYSA-N

Data: 1 KI

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 = 50053907   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50053907 (4-Hydroxy-3-(1-phenyl-propyl)-5,6,7,8,9,9a-hexahyd...) Show SMILES CCC(C1C(=O)OC2CCCCCC2C1=O)c1ccccc1 Show InChI InChI=1S/C19H24O3/c1-2-14(13-9-5-3-6-10-13)17-18(20)15-11-7-4-8-12-16(15)22-19(17)21/h3,5-6,9-10,14-17H,2,4,7-8,11-12H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn Curated by ChEMBL					Assay Description Binding affinity of the compound towards HIV protease was determined				J Med Chem 39: 4125-30 (1996) Article DOI: 10.1021/jm960296c BindingDB Entry DOI: 10.7270/Q2KH0MFB
					More data for this Ligand-Target Pair