BDBM764 Cyclooctylpyranonesulfonamide deriv. 8c::N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-3-yl})methyl]phenyl}-2-methylbenzene-1-sulfonamide::Sulfonamide-Substituted Cyclooctylpyranone deriv. 33a::U-103017 Analog

SMILES: Cc1ccccc1S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O

InChI Key: InChIKey=AYZGBDUXVJCUNJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 764   

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)	BDBM764 (Cyclooctylpyranonesulfonamide deriv. 8c | N-{3-[cy...) Show SMILES Cc1ccccc1S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O Show InChI InChI=1S/C28H31NO5S/c1-18-9-6-7-14-24(18)35(32,33)29-21-11-8-10-20(17-21)25(19-15-16-19)26-27(30)22-12-4-2-3-5-13-23(22)34-28(26)31/h6-11,14,17,19,25,29-30H,2-5,12-13,15-16H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	-10.9	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 38: 4968-71 (1995) Article DOI: 10.1021/jm00026a002 BindingDB Entry DOI: 10.7270/Q2ZP449D
					More data for this Ligand-Target Pair
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM764 (Cyclooctylpyranonesulfonamide deriv. 8c | N-{3-[cy...) Show SMILES Cc1ccccc1S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O Show InChI InChI=1S/C28H31NO5S/c1-18-9-6-7-14-24(18)35(32,33)29-21-11-8-10-20(17-21)25(19-15-16-19)26-27(30)22-12-4-2-3-5-13-23(22)34-28(26)31/h6-11,14,17,19,25,29-30H,2-5,12-13,15-16H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.30	-10.8	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