BDBM50000757 CHEMBL408723

SMILES: CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)CCc1ccccc1

InChI Key: InChIKey=ZPPWWEWSNPUFSA-UIOOFZCWSA-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 = 50000757   

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)	BDBM50000757 (CHEMBL408723) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)CCc1ccccc1 Show InChI InChI=1S/C30H33F2N3O4/c1-21(2)26(35-29(38)39-20-24-15-9-10-18-33-24)28(37)34-25(19-23-13-7-4-8-14-23)27(36)30(31,32)17-16-22-11-5-3-6-12-22/h3-15,18,21,25-26H,16-17,19-20H2,1-2H3,(H,34,37)(H,35,38)/t25-,26-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair