BDBM50053908 4-Cyano-N-{3-[1-(4-hydroxy-2-oxo-4a,5,6,7,8,9,10,10a-octahydro-2H-cycloocta[b]pyran-3-yl)-2,2-dimethyl-propyl]-phenyl}-benzenesulfonamide::CHEMBL336746

SMILES: CC(C)(C)C(C1C(=O)OC2CCCCCCC2C1=O)c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1

InChI Key: InChIKey=CXYHRQAGHMZHPA-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 = 50053908   

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)	BDBM50053908 (4-Cyano-N-{3-[1-(4-hydroxy-2-oxo-4a,5,6,7,8,9,10,1...) Show SMILES CC(C)(C)C(C1C(=O)OC2CCCCCCC2C1=O)c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1 Show InChI InChI=1S/C29H34N2O5S/c1-29(2,3)26(25-27(32)23-11-6-4-5-7-12-24(23)36-28(25)33)20-9-8-10-21(17-20)31-37(34,35)22-15-13-19(18-30)14-16-22/h8-10,13-17,23-26,31H,4-7,11-12H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	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