BDBM50190628 CHEMBL3827975

SMILES: N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)Nc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1

InChI Key: InChIKey=XEJRKVCKRPQXCJ-XXAUWVGASA-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 = 50190628   

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))	BDBM50190628 (CHEMBL3827975) Show SMILES N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)Nc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1 |r| Show InChI InChI=1S/C30H33F4N5O4/c31-24-14-36-15-25(39-28(40)27(35)26(19-7-3-1-4-8-19)20-9-5-2-6-10-20)23(24)12-11-22-13-37-21(16-42-22)17-43-29(41)38-18-30(32,33)34/h1-10,14-15,21-22,26-27,37H,11-13,16-18,35H2,(H,38,41)(H,39,40)/t21-,22+,27-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair