BDBM50053912 5-Cyano-pyridine-2-sulfonic acid {3-[1-(4-hydroxy-2-oxo-2,5,6,7-tetrahydro-cyclopenta[b]pyran-3-yl)-propyl]-phenyl}-amide::CHEMBL415722

SMILES: CCC(c1cccc(NS(=O)(=O)c2ccc(cn2)C#N)c1)c1c(O)c2CCCc2oc1=O

InChI Key: InChIKey=GDEOHSJOOBUKGL-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 = 50053912   

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)	BDBM50053912 (5-Cyano-pyridine-2-sulfonic acid {3-[1-(4-hydroxy-...) Show SMILES CCC(c1cccc(NS(=O)(=O)c2ccc(cn2)C#N)c1)c1c(O)c2CCCc2oc1=O Show InChI InChI=1S/C23H21N3O5S/c1-2-17(21-22(27)18-7-4-8-19(18)31-23(21)28)15-5-3-6-16(11-15)26-32(29,30)20-10-9-14(12-24)13-25-20/h3,5-6,9-11,13,17,26-27H,2,4,7-8H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0750	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