BDBM126676 US8785638, 161

SMILES: [NH4+].CCCC(C([O-])=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1O

InChI Key: InChIKey=MPAZIMZSSKZQJU-UHFFFAOYSA-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 = 126676   

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 type 1 (HIV-1))	BDBM126676 (US8785638, 161) Show SMILES [NH4+].CCCC(C([O-])=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1O |(6.21,-1.54,;3.65,2.31,;3.65,.77,;2.32,,;2.32,-1.54,;3.65,-2.31,;4.98,-1.54,;3.65,-3.85,;.98,-2.31,;.98,-3.85,;2.32,-4.62,;-.35,-4.62,;-1.68,-3.85,;-3.15,-4.33,;-4.05,-3.08,;-5.59,-2.92,;-6.21,-1.51,;-5.31,-.27,;-3.77,-.43,;-3.15,-1.83,;-1.68,-2.31,;-.35,-1.54,;-.35,,;.98,.77,;.98,2.31,;-.35,3.08,;-.35,4.62,;-1.68,2.31,;-1.68,.77,;-3.02,,)| Show InChI InChI=1S/C24H27NO3S.H3N/c1-4-7-17(24(27)28)20-14(3)25-23-22(16-8-5-6-9-19(16)29-23)21(20)15-11-10-13(2)12-18(15)26;/h10-12,17,26H,4-9H2,1-3H3,(H,27,28);1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	55.4	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair