BDBM1006 N-[3-(1-{4'-hydroxy-3',6'-dihydrospiro[adamantane-2,2'-pyran]-6'-one}propyl)phenyl]-1-methyl-1H-imidazole-4-sulfonamide::N-[3-[1-(5,6-Dihydro-4-hydroxy-6-oxospirop[2H-pyran-2,2 -tricyclo[3.3.1.1]decan]-5-yl)propyl]phenyl]-1-methyl-1H-imidazole-4-sulfonamide::Tipranavir deriv. 17

SMILES: CCC(C1C(=O)CC2(OC1=O)C1CC3CC(C1)CC2C3)c1cccc(NS(=O)(=O)c2cn(C)cn2)c1

InChI Key: InChIKey=AGZAKAOUNODZPW-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 = 1006   

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)	BDBM1006 (N-[3-(1-{4'-hydroxy-3',6'-dihydrospiro[adamantane-...) Show SMILES CCC(C1C(=O)CC2(OC1=O)C1CC3CC(C1)CC2C3)c1cccc(NS(=O)(=O)c2cn(C)cn2)c1 |TLB:16:15:19:7.12.11,16:11:19:14.15.17,THB:7:11:14:19.17.18,7:18:14:12.16.11,8:7:19:14.15.17,(19.13,-3.15,;17.7,-3.84,;17.7,-5.27,;16.34,-5.92,;15.01,-5.15,;15,-3.75,;13.67,-5.92,;13.67,-7.46,;15.01,-8.23,;16.34,-7.46,;17.61,-8.2,;12.3,-6.76,;11.46,-8.24,;11.46,-9.63,;10.09,-10.33,;10.93,-8.86,;10.93,-7.46,;12.3,-9.55,;13.67,-8.86,;12.83,-10.33,;19.04,-5.95,;20.37,-5.18,;21.7,-5.95,;21.7,-7.49,;20.37,-8.26,;20.37,-9.52,;21.52,-10.68,;20.23,-11.41,;22.53,-11.67,;23.11,-10.68,;24.02,-9.43,;25.48,-9.91,;26.78,-9.31,;25.48,-11.45,;24.02,-11.92,;19.04,-7.49,)| Show InChI InChI=1S/C27H33N3O5S/c1-3-22(18-5-4-6-21(12-18)29-36(33,34)24-14-30(2)15-28-24)25-23(31)13-27(35-26(25)32)19-8-16-7-17(10-19)11-20(27)9-16/h4-6,12,14-17,19-20,22,25,29H,3,7-11,13H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	23	-10.3	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 41: 3467-76 (1998) Article DOI: 10.1021/jm9802158 BindingDB Entry DOI: 10.7270/Q2S180P3
					More data for this Ligand-Target Pair