BDBM50485186 CHEMBL2035868

SMILES: [H][C@]12OC([C@H](CC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O)NCc3ccccc3)[C@H](OCc3ccccc3)[C@@]1([H])OC(C)(C)O2

InChI Key: InChIKey=NUKFXVDIWDWORF-CGFQGZOWSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50485186   

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))	BDBM50485186 (CHEMBL2035868) Show SMILES [H][C@]12OC([C@H](CC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O)NCc3ccccc3)[C@H](OCc3ccccc3)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C32H43N3O8/c1-19(2)25(30(38)39)35-29(37)20(3)34-24(36)16-23(33-17-21-12-8-6-9-13-21)26-27(40-18-22-14-10-7-11-15-22)28-31(41-26)43-32(4,5)42-28/h6-15,19-20,23,25-28,31,33H,16-18H2,1-5H3,(H,34,36)(H,35,37)(H,38,39)/t20-,23-,25-,26?,27-,28+,31+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	760	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