BDBM50485180 CHEMBL2035865

SMILES: [H][C@]12OC([C@H](N)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O)[C@H](O)[C@@]1([H])OC(C)(C)O2

InChI Key: InChIKey=OIEULKNNPCSEER-WXWYLQSSSA-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 = 50485180   

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))	BDBM50485180 (CHEMBL2035865) Show SMILES [H][C@]12OC([C@H](N)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C18H31N3O8/c1-7(2)11(15(24)20-8(3)16(25)26)21-10(22)6-9(19)13-12(23)14-17(27-13)29-18(4,5)28-14/h7-9,11-14,17,23H,6,19H2,1-5H3,(H,20,24)(H,21,22)(H,25,26)/t8-,9+,11-,12-,13?,14+,17+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of South African HIV1 subtype C protease expressed in Escherichia coli BL21S4 (DE3)pLysS cells using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-A...				Eur J Med Chem 53: 13-21 (2012) Article DOI: 10.1016/j.ejmech.2012.03.027 BindingDB Entry DOI: 10.7270/Q2QC06CB
					More data for this Ligand-Target Pair