BDBM50282534 CHEMBL21095::{(S)-1-[1-(4-Benzyloxy-benzyl)-3-((R)-1-benzyloxymethyl-2-methyl-propylcarbamoyl)-3,3-difluoro-2-oxo-propylcarbamoyl]-2-methyl-propyl}-carbamic acid benzyl ester

SMILES: CC(C)[C@H](COCc1ccccc1)NC(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

InChI Key: InChIKey=ULXLHMVSQUDJFT-RJHNEXDJSA-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 = 50282534   

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)	BDBM50282534 (CHEMBL21095 | {(S)-1-[1-(4-Benzyloxy-benzyl)-3-((R...) Show SMILES CC(C)[C@H](COCc1ccccc1)NC(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C43H49F2N3O7/c1-29(2)37(28-53-25-32-14-8-5-9-15-32)47-41(51)43(44,45)39(49)36(24-31-20-22-35(23-21-31)54-26-33-16-10-6-11-17-33)46-40(50)38(30(3)4)48-42(52)55-27-34-18-12-7-13-19-34/h5-23,29-30,36-38H,24-28H2,1-4H3,(H,46,50)(H,47,51)(H,48,52)/t36?,37-,38-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound was determined against HIV-1 protease				Bioorg Med Chem Lett 4: 1213-1218 (1994) Article DOI: 10.1016/S0960-894X(01)80332-2 BindingDB Entry DOI: 10.7270/Q24Q7TXS
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