BDBM50403351 CHEMBL79698

SMILES: COC(=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=XFGUWVSATQAHPT-KNZVSNRJSA-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 = 50403351   

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)	BDBM50403351 (CHEMBL79698) Show SMILES COC(=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/C31H42N4O4/c1-20(2)26-19-32-29(33-26)24(16-22-12-8-6-9-13-22)18-27(36)25(17-23-14-10-7-11-15-23)34-30(37)28(21(3)4)35-31(38)39-5/h6-15,19-21,24-25,27-28,36H,16-18H2,1-5H3,(H,32,33)(H,34,37)(H,35,38)/t24-,25+,27+,28+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.10	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