BDBM50283353 CHEMBL81135::{[3-Benzylcarbamoyl-1-(4-benzyloxy-benzyl)-3,3-difluoro-2-oxo-propylcarbamoyl]-cyclohexyl-methyl}-carbamic acid benzyl ester

SMILES: FC(F)(C(=O)NCc1ccccc1)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(NC(=O)OCc1ccccc1)C1CCCCC1

InChI Key: InChIKey=QSTPUYOLKSXAIW-UHFFFAOYSA-N

Data: 1 IC50

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 = 50283353   

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)	BDBM50283353 (CHEMBL81135 | {[3-Benzylcarbamoyl-1-(4-benzyloxy-b...) Show SMILES FC(F)(C(=O)NCc1ccccc1)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(NC(=O)OCc1ccccc1)C1CCCCC1 Show InChI InChI=1S/C41H43F2N3O6/c42-41(43,39(49)44-26-30-13-5-1-6-14-30)37(47)35(25-29-21-23-34(24-22-29)51-27-31-15-7-2-8-16-31)45-38(48)36(33-19-11-4-12-20-33)46-40(50)52-28-32-17-9-3-10-18-32/h1-3,5-10,13-18,21-24,33,35-36H,4,11-12,19-20,25-28H2,(H,44,49)(H,45,48)(H,46,50)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inactivation of purified HIV-1 protease in vitro				Bioorg Med Chem Lett 4: 241-246 (1994) Article DOI: 10.1016/S0960-894X(01)80122-0 BindingDB Entry DOI: 10.7270/Q2HQ3ZVF
					More data for this Ligand-Target Pair