BDBM2141 1-(5-bromopyridin-2-yl)-3-[2-(6-fluoro-2,3-dimethoxyphenyl)ethyl]thiourea::LY300046HCl Analog 27::N-[2-(2,3-Dimethoxy-6-fluorophenethyl)]-N-[2-(5-bromopyridyl)]thiourea::PETT deriv.

SMILES: COc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1OC

InChI Key: InChIKey=BUKTZZDIPVJPGP-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 = 2141   

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)	BDBM2141 (1-(5-bromopyridin-2-yl)-3-[2-(6-fluoro-2,3-dimetho...) Show SMILES COc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1OC Show InChI InChI=1S/C16H17BrFN3O2S/c1-22-13-5-4-12(18)11(15(13)23-2)7-8-19-16(24)21-14-6-3-10(17)9-20-14/h3-6,9H,7-8H2,1-2H3,(H2,19,20,21,24)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Lilly 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 39: 4261-74 (1996) Article DOI: 10.1021/jm950639r BindingDB Entry DOI: 10.7270/Q2542KSN
					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C) (Human immunodeficiency virus type 1)	BDBM2141 (1-(5-bromopyridin-2-yl)-3-[2-(6-fluoro-2,3-dimetho...) Show SMILES COc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1OC Show InChI InChI=1S/C16H17BrFN3O2S/c1-22-13-5-4-12(18)11(15(13)23-2)7-8-19-16(24)21-14-6-3-10(17)9-20-14/h3-6,9H,7-8H2,1-2H3,(H2,19,20,21,24)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Lilly 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 39: 4261-74 (1996) Article DOI: 10.1021/jm950639r BindingDB Entry DOI: 10.7270/Q2542KSN
					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I) (Human immunodeficiency virus type 1)	BDBM2141 (1-(5-bromopyridin-2-yl)-3-[2-(6-fluoro-2,3-dimetho...) Show SMILES COc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1OC Show InChI InChI=1S/C16H17BrFN3O2S/c1-22-13-5-4-12(18)11(15(13)23-2)7-8-19-16(24)21-14-6-3-10(17)9-20-14/h3-6,9H,7-8H2,1-2H3,(H2,19,20,21,24)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Lilly 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 39: 4261-74 (1996) Article DOI: 10.1021/jm950639r BindingDB Entry DOI: 10.7270/Q2542KSN
					More data for this Ligand-Target Pair