BDBM2318 2-(cyclopentylsulfanyl)-6-[1-(naphthalen-1-yl)ethyl]-3,4-dihydropyrimidin-4-one::S-DABO::thio-DABO 3f

SMILES: CC(c1cc(=O)[nH]c(SC2CCCC2)n1)c1cccc2ccccc12

InChI Key: InChIKey=CEMLODIQTPVPCA-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 = 2318   

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)	BDBM2318 (2-(cyclopentylsulfanyl)-6-[1-(naphthalen-1-yl)ethy...) Show SMILES CC(c1cc(=O)[nH]c(SC2CCCC2)n1)c1cccc2ccccc12 Show InChI InChI=1S/C21H22N2OS/c1-14(17-12-6-8-15-7-2-5-11-18(15)17)19-13-20(24)23-21(22-19)25-16-9-3-4-10-16/h2,5-8,11-14,16H,3-4,9-10H2,1H3,(H,22,23,24)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	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