BDBM2326 6-(1-phenylpropyl)-2-(propan-2-ylsulfanyl)-3,4-dihydropyrimidin-4-one::S-DABO::thio-DABO 3aa

SMILES: CCC(c1ccccc1)c1cc(=O)[nH]c(SC(C)C)n1

InChI Key: InChIKey=CBCILHONFHFHHP-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 = 2326   

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)	BDBM2326 (6-(1-phenylpropyl)-2-(propan-2-ylsulfanyl)-3,4-dih...) Show SMILES CCC(c1ccccc1)c1cc(=O)[nH]c(SC(C)C)n1 Show InChI InChI=1S/C16H20N2OS/c1-4-13(12-8-6-5-7-9-12)14-10-15(19)18-16(17-14)20-11(2)3/h5-11,13H,4H2,1-3H3,(H,17,18,19)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+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