BDBM2247 2-Pyridinone derivative 27::3-[2-(4,7-Dimethylbenzoxazol-2-yl)ethyl]-5-ethyl-6-methylpyridine-2(1H)-thione::3-[2-(4,7-dimethyl-1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methyl-1,2-dihydropyridine-2-thione::CHEMBL173575

SMILES: CCc1cc(CCc2nc3c(C)ccc(C)c3o2)c(=S)[nH]c1C

InChI Key: InChIKey=UCRABRKSDLESNY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 2247   

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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM2247 (2-Pyridinone derivative 27 | 3-[2-(4,7-Dimethylben...) Show SMILES CCc1cc(CCc2nc3c(C)ccc(C)c3o2)c(=S)[nH]c1C Show InChI InChI=1S/C19H22N2OS/c1-5-14-10-15(19(23)20-13(14)4)8-9-16-21-17-11(2)6-7-12(3)18(17)22-16/h6-7,10H,5,8-9H2,1-4H3,(H,20,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Merck Reserch Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)				J Med Chem 36: 953-66 (1993) BindingDB Entry DOI: 10.7270/Q2JW8G28
					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM2247 (2-Pyridinone derivative 27 | 3-[2-(4,7-Dimethylben...) Show SMILES CCc1cc(CCc2nc3c(C)ccc(C)c3o2)c(=S)[nH]c1C Show InChI InChI=1S/C19H22N2OS/c1-5-14-10-15(19(23)20-13(14)4)8-9-16-21-17-11(2)6-7-12(3)18(17)22-16/h6-7,10H,5,8-9H2,1-4H3,(H,20,23)	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Merck Reserch Laboratories Curated by ChEMBL					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 36: 953-66 (1993) BindingDB Entry DOI: 10.7270/Q2JW8G28
					More data for this Ligand-Target Pair