BDBM1449 3-bromo-N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-3-yl})methyl]phenyl}benzene-1-sulfonamide::Sulfonamide-Substituted Cyclooctylpyranone deriv. 34c

SMILES: Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cccc(Br)c2)c1

InChI Key: InChIKey=DOEJTKCUOBFGBE-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 = 1449   

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)	BDBM1449 (3-bromo-N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6...) Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cccc(Br)c2)c1 Show InChI InChI=1S/C27H28BrNO5S/c28-19-8-6-10-21(16-19)35(32,33)29-20-9-5-7-18(15-20)24(17-13-14-17)25-26(30)22-11-3-1-2-4-12-23(22)34-27(25)31/h5-10,15-17,24,29-30H,1-4,11-14H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60	-11.6	n/a	n/a	n/a	n/a	n/a	5.0	22
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