BDBM50403358 CHEMBL78531

SMILES: CCOC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1ncc([nH]1)C(C)C

InChI Key: InChIKey=QGRGDPUQQAHWKX-JMZGFNRRSA-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 = 50403358   

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)	BDBM50403358 (CHEMBL78531) Show SMILES CCOC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1ncc([nH]1)C(C)C Show InChI InChI=1S/C32H44N4O4/c1-6-40-32(39)36-29(22(4)5)31(38)35-26(18-24-15-11-8-12-16-24)28(37)19-25(17-23-13-9-7-10-14-23)30-33-20-27(34-30)21(2)3/h7-16,20-22,25-26,28-29,37H,6,17-19H2,1-5H3,(H,33,34)(H,35,38)(H,36,39)/t25-,26+,28+,29+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 4: 2441-2446 (1994) Article DOI: 10.1016/S0960-894X(01)80406-6 BindingDB Entry DOI: 10.7270/Q2X63P48
					More data for this Ligand-Target Pair