BDBM2317 6-[1-(naphthalen-1-yl)ethyl]-2-(propan-2-ylsulfanyl)-3,4-dihydropyrimidin-4-one::S-DABO::thio-DABO 3e

SMILES: CC(C)Sc1nc(cc(=O)[nH]1)C(C)c1cccc2ccccc12

InChI Key: InChIKey=LDUKMLGVURLVHG-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 = 2317   

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)	BDBM2317 (6-[1-(naphthalen-1-yl)ethyl]-2-(propan-2-ylsulfany...) Show SMILES CC(C)Sc1nc(cc(=O)[nH]1)C(C)c1cccc2ccccc12 Show InChI InChI=1S/C19H20N2OS/c1-12(2)23-19-20-17(11-18(22)21-19)13(3)15-10-6-8-14-7-4-5-9-16(14)15/h4-13H,1-3H3,(H,20,21,22)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+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