BDBM50484348 CHEMBL1835837

SMILES: C[C@@H]1CN(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OCC=C)S(=O)(=O)c2ccccc2C1

InChI Key: InChIKey=OPKGUPWPWTVCRP-YUXAGFNASA-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 = 50484348   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484348 (CHEMBL1835837) Show SMILES C[C@@H]1CN(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OCC=C)S(=O)(=O)c2ccccc2C1 |r| Show InChI InChI=1S/C24H30N2O5S/c1-3-13-31-24(28)25-21(15-19-9-5-4-6-10-19)22(27)17-26-16-18(2)14-20-11-7-8-12-23(20)32(26,29)30/h3-12,18,21-22,27H,1,13-17H2,2H3,(H,25,28)/t18-,21-,22+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stevens Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 protease activity after 60 mins by HPLC analysis				J Med Chem 54: 7176-83 (2011) Article DOI: 10.1021/jm200778q BindingDB Entry DOI: 10.7270/Q2VD7291
					More data for this Ligand-Target Pair