BDBM50286688 (S)-2-Acetylamino-N*1*-[(1R,2R)-3-(2-tert-butylcarbamoyl-phenyl)-2-hydroxy-1-(naphthalen-2-ylsulfanylmethyl)-propyl]-succinamide::CHEMBL352273

SMILES: CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CSc1ccc2ccccc2c1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C

InChI Key: InChIKey=HQWLOOZWBNAXSA-GMQQYTKMSA-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 = 50286688   

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)	BDBM50286688 ((S)-2-Acetylamino-N*1*-[(1R,2R)-3-(2-tert-butylcar...) Show SMILES CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CSc1ccc2ccccc2c1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C Show InChI InChI=1S/C31H38N4O5S/c1-19(36)33-25(17-28(32)38)30(40)34-26(18-41-23-14-13-20-9-5-6-10-21(20)15-23)27(37)16-22-11-7-8-12-24(22)29(39)35-31(2,3)4/h5-15,25-27,37H,16-18H2,1-4H3,(H2,32,38)(H,33,36)(H,34,40)(H,35,39)/t25-,26-,27+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.10	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 5: 715-720 (1995) Article DOI: 10.1016/0960-894X(95)00101-X BindingDB Entry DOI: 10.7270/Q2K937HR
					More data for this Ligand-Target Pair