BDBM325 (3R,4S,5S,6R)-3,6-Bis(phenoxymethyl)-4,5-dihydroxy-2,7-bis[(N-2-thiazolylcarbamoyl)methyl]-1,2,7-thiadiazepine 1,1-Dioxide::2-[(3R,4S,5S,6R)-4,5-dihydroxy-1,1-dioxo-3,6-bis(phenoxymethyl)-7-[(1,3-thiazol-2-ylcarbamoyl)methyl]-1,2,7-thiadiazepan-2-yl]-N-(1,3-thiazol-2-yl)acetamide::CHEMBL356225::Cyclic Sulfamide deriv. 3

SMILES: O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(CC(=O)Nc2nccs2)S(=O)(=O)N(CC(=O)Nc2nccs2)[C@@H]1COc1ccccc1

InChI Key: InChIKey=FEESVQMWSQCTLV-PWGHIRGTSA-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 = 325   

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)	BDBM325 ((3R,4S,5S,6R)-3,6-Bis(phenoxymethyl)-4,5-dihydroxy...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(CC(=O)Nc2nccs2)S(=O)(=O)N(CC(=O)Nc2nccs2)[C@@H]1COc1ccccc1 |r| Show InChI InChI=1S/C28H30N6O8S3/c35-23(31-27-29-11-13-43-27)15-33-21(17-41-19-7-3-1-4-8-19)25(37)26(38)22(18-42-20-9-5-2-6-10-20)34(45(33,39)40)16-24(36)32-28-30-12-14-44-28/h1-14,21-22,25-26,37-38H,15-18H2,(H,29,31,35)(H,30,32,36)/t21-,22-,25+,26+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002) BindingDB Entry DOI: 10.7270/Q2GH9JP4
					More data for this Ligand-Target Pair
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM325 ((3R,4S,5S,6R)-3,6-Bis(phenoxymethyl)-4,5-dihydroxy...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(CC(=O)Nc2nccs2)S(=O)(=O)N(CC(=O)Nc2nccs2)[C@@H]1COc1ccccc1 |r| Show InChI InChI=1S/C28H30N6O8S3/c35-23(31-27-29-11-13-43-27)15-33-21(17-41-19-7-3-1-4-8-19)25(37)26(38)22(18-42-20-9-5-2-6-10-20)34(45(33,39)40)16-24(36)32-28-30-12-14-44-28/h1-14,21-22,25-26,37-38H,15-18H2,(H,29,31,35)(H,30,32,36)/t21-,22-,25+,26+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	-7.84	n/a	n/a	n/a	n/a	n/a	5.0	30
Uppsala University					Assay Description A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...				J Med Chem 44: 155-69 (2001) Article DOI: 10.1021/jm001024j BindingDB Entry DOI: 10.7270/Q2JM27T6
					More data for this Ligand-Target Pair