BDBM1498 4-chloro-N-[3-(1-{4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-3-yl}propyl)phenyl]benzene-1-sulfonamide::Sulfonamide-Substituted Cyclooctylpyranone deriv. 43a

SMILES: CCC(c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c(O)c2CCCCCCc2oc1=O

InChI Key: InChIKey=YXDSUTZGWOOLTI-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 = 1498   

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
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM1498 (4-chloro-N-[3-(1-{4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9...) Show SMILES CCC(c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c(O)c2CCCCCCc2oc1=O Show InChI InChI=1S/C26H28ClNO5S/c1-2-21(24-25(29)22-10-5-3-4-6-11-23(22)33-26(24)30)17-8-7-9-19(16-17)28-34(31,32)20-14-12-18(27)13-15-20/h7-9,12-16,21,28-29H,2-6,10-11H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 40: 1149-64 (1997) Article DOI: 10.1021/jm960441m BindingDB Entry DOI: 10.7270/Q2736P28
					More data for this Ligand-Target Pair