BDBM2316 2-(cyclopentylsulfanyl)-6-(1-phenylethyl)-3,4-dihydropyrimidin-4-one::2-Cyclopentylthio-3,4-dihydro-6-(1-phenyl)ethylpyrimidin-4(3H)-one::S-DABO::thio-DABO 3c

SMILES: CC(c1ccccc1)c1cc(=O)[nH]c(SC2CCCC2)n1

InChI Key: InChIKey=FYTVFEIQYGAZEO-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 = 2316   

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
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM2316 (2-(cyclopentylsulfanyl)-6-(1-phenylethyl)-3,4-dihy...) Show SMILES CC(c1ccccc1)c1cc(=O)[nH]c(SC2CCCC2)n1 Show InChI InChI=1S/C17H20N2OS/c1-12(13-7-3-2-4-8-13)15-11-16(20)19-17(18-15)21-14-9-5-6-10-14/h2-4,7-8,11-12,14H,5-6,9-10H2,1H3,(H,18,19,20)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair