BDBM2323 6-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-(propan-2-ylsulfanyl)-3,4-dihydropyrimidin-4-one::S-DABO::thio-DABO 3s

SMILES: CC(C)Sc1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1

InChI Key: InChIKey=ZQCPKQJODQWPGV-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 = 2323   

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)	BDBM2323 (6-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-(propan...) Show SMILES CC(C)Sc1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1 Show InChI InChI=1S/C16H18F2N2OS/c1-8(2)22-16-19-14(10(4)15(21)20-16)9(3)13-11(17)6-5-7-12(13)18/h5-9H,1-4H3,(H,19,20,21)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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