BDBM2719 1-(5-chloropyridin-2-yl)-3-[2-(3-acetyl-6-fluoro-2-methoxyphenyl)ethyl]urea::N-[2-(3-Acetyl-6-fluoro-2-methoxyphenethyl)]-N-[2-(5-chloropyridy)]urea::urea-PETT deriv. 4

SMILES: COc1c(CCNC(=O)Nc2ccc(Cl)cn2)c(F)ccc1C(C)=O

InChI Key: InChIKey=CZVZTRQYAQOLCN-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 = 2719   

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)	BDBM2719 (1-(5-chloropyridin-2-yl)-3-[2-(3-acetyl-6-fluoro-2...) Show SMILES COc1c(CCNC(=O)Nc2ccc(Cl)cn2)c(F)ccc1C(C)=O Show InChI InChI=1S/C17H17ClFN3O3/c1-10(23)12-4-5-14(19)13(16(12)25-2)7-8-20-17(24)22-15-6-3-11(18)9-21-15/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	224	n/a	n/a	n/a	n/a	7.8	37
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N) (Human immunodeficiency virus type 1)	BDBM2719 (1-(5-chloropyridin-2-yl)-3-[2-(3-acetyl-6-fluoro-2...) Show SMILES COc1c(CCNC(=O)Nc2ccc(Cl)cn2)c(F)ccc1C(C)=O Show InChI InChI=1S/C17H17ClFN3O3/c1-10(23)12-4-5-14(19)13(16(12)25-2)7-8-20-17(24)22-15-6-3-11(18)9-21-15/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.70E+3	n/a	n/a	n/a	n/a	7.8	37
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C) (Human immunodeficiency virus type 1)	BDBM2719 (1-(5-chloropyridin-2-yl)-3-[2-(3-acetyl-6-fluoro-2...) Show SMILES COc1c(CCNC(=O)Nc2ccc(Cl)cn2)c(F)ccc1C(C)=O Show InChI InChI=1S/C17H17ClFN3O3/c1-10(23)12-4-5-14(19)13(16(12)25-2)7-8-20-17(24)22-15-6-3-11(18)9-21-15/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a	7.8	37
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair