BDBM50121495 2-Benzyl-7-ethyl-1,1-dioxo-3,6-bis-phenoxymethyl-1lambda*6*-[1,2,7]thiadiazepane-4,5-diol::CHEMBL357812

SMILES: CCN1[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccccc2)S1(=O)=O

InChI Key: InChIKey=QHBIEGLEVDVROO-XDZXDJIYSA-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 = 50121495   

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)	BDBM50121495 (2-Benzyl-7-ethyl-1,1-dioxo-3,6-bis-phenoxymethyl-1...) Show SMILES CCN1[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccccc2)S1(=O)=O Show InChI InChI=1S/C27H32N2O6S/c1-2-28-24(19-34-22-14-8-4-9-15-22)26(30)27(31)25(20-35-23-16-10-5-11-17-23)29(36(28,32)33)18-21-12-6-3-7-13-21/h3-17,24-27,30-31H,2,18-20H2,1H3/t24-,25-,26+,27+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	510	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