BDBM50053904 4-Cyano-N-{3-[1-(4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-cyclopenta[b]pyran-3-yl)-propyl]-phenyl}-benzenesulfonamide::CHEMBL130283

SMILES: CCC(C1C(=O)OC2CCCC2C1=O)c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1

InChI Key: InChIKey=FTGQOEVLKUJHGZ-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 = 50053904   

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)	BDBM50053904 (4-Cyano-N-{3-[1-(4-hydroxy-2-oxo-2,4a,5,6,7,7a-hex...) Show SMILES CCC(C1C(=O)OC2CCCC2C1=O)c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1 Show InChI InChI=1S/C24H24N2O5S/c1-2-19(22-23(27)20-7-4-8-21(20)31-24(22)28)16-5-3-6-17(13-16)26-32(29,30)18-11-9-15(14-25)10-12-18/h3,5-6,9-13,19-22,26H,2,4,7-8H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.147	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