BDBM2222 2-Pyridinone derivative 20::3-[2-(4,7-dimethyl-1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methyl-1,2-dihydropyridin-2-one::CHEMBL329720::Pyridinone deriv. 15

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

InChI Key: InChIKey=XKSPCHATHZHOGY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 2222   

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)	BDBM2222 (2-Pyridinone derivative 20 | 3-[2-(4,7-dimethyl-1,...) Show SMILES CCc1cc(CCc2nc3c(C)ccc(C)c3o2)c(=O)[nH]c1C Show InChI InChI=1S/C19H22N2O2/c1-5-14-10-15(19(22)20-13(14)4)8-9-16-21-17-11(2)6-7-12(3)18(17)23-16/h6-7,10H,5,8-9H2,1-4H3,(H,20,22)	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	8.2	n/a
Merck Sharp and Dohme Research Laboratories					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 34: 2922-5 (1991) Article DOI: 10.1021/jm00113a036 BindingDB Entry DOI: 10.7270/Q2WM1BK1
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM2222 (2-Pyridinone derivative 20 | 3-[2-(4,7-dimethyl-1,...) Show SMILES CCc1cc(CCc2nc3c(C)ccc(C)c3o2)c(=O)[nH]c1C Show InChI InChI=1S/C19H22N2O2/c1-5-14-10-15(19(22)20-13(14)4)8-9-16-21-17-11(2)6-7-12(3)18(17)23-16/h6-7,10H,5,8-9H2,1-4H3,(H,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	28	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)	BDBM2222 (2-Pyridinone derivative 20 | 3-[2-(4,7-dimethyl-1,...) Show SMILES CCc1cc(CCc2nc3c(C)ccc(C)c3o2)c(=O)[nH]c1C Show InChI InChI=1S/C19H22N2O2/c1-5-14-10-15(19(22)20-13(14)4)8-9-16-21-17-11(2)6-7-12(3)18(17)23-16/h6-7,10H,5,8-9H2,1-4H3,(H,20,22)	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	28	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