BDBM50142978 (S)-11-{(S)-2-[Benzenesulfonyl-(3-methyl-butyl)-amino]-1-(R)-hydroxy-ethyl}-6,9-dioxo-2-oxa-7,10-diaza-bicyclo[11.2.2]heptadeca-1(16),13(17),14-triene-8-carboxylic acid amide::CHEMBL45135

SMILES: CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](C(N)=O)C(=O)N1)cc2)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=QIZJJPPKMBIHOW-GSLIJJQTSA-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 = 50142978   

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)	BDBM50142978 ((S)-11-{(S)-2-[Benzenesulfonyl-(3-methyl-butyl)-am...) Show SMILES CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](C(N)=O)C(=O)N1)cc2)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H38N4O7S/c1-19(2)14-15-32(40(37,38)22-7-4-3-5-8-22)18-24(33)23-17-20-10-12-21(13-11-20)39-16-6-9-25(34)31-26(27(29)35)28(36)30-23/h3-5,7-8,10-13,19,23-24,26,33H,6,9,14-18H2,1-2H3,(H2,29,35)(H,30,36)(H,31,34)/t23-,24+,26-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Tested for inhibition of synthetic HIV-1 protease by using fluorometric assay				J Med Chem 47: 1641-51 (2004) Article DOI: 10.1021/jm030337m BindingDB Entry DOI: 10.7270/Q2JD4XJK
					More data for this Ligand-Target Pair