BDBM2149 1-(5-chloropyridin-2-yl)-3-[2-(3-fluorofuran-2-yl)ethyl]thiourea::LY300046HCl Analog 35::N-[2-[2-(3-Fluorofuranyl)]ethyl]-N-[2-(5-chloropyridyl)]-thiourea::PETT deriv.

SMILES: Fc1ccoc1CCNC(=S)Nc1ccc(Cl)cn1

InChI Key: InChIKey=FJELSMKNWJAVBM-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 = 2149   

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)	BDBM2149 (1-(5-chloropyridin-2-yl)-3-[2-(3-fluorofuran-2-yl)...) Show SMILES Fc1ccoc1CCNC(=S)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C12H11ClFN3OS/c13-8-1-2-11(16-7-8)17-12(19)15-5-3-10-9(14)4-6-18-10/h1-2,4,6-7H,3,5H2,(H2,15,16,17,19)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	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)	BDBM2149 (1-(5-chloropyridin-2-yl)-3-[2-(3-fluorofuran-2-yl)...) Show SMILES Fc1ccoc1CCNC(=S)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C12H11ClFN3OS/c13-8-1-2-11(16-7-8)17-12(19)15-5-3-10-9(14)4-6-18-10/h1-2,4,6-7H,3,5H2,(H2,15,16,17,19)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	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)	BDBM2149 (1-(5-chloropyridin-2-yl)-3-[2-(3-fluorofuran-2-yl)...) Show SMILES Fc1ccoc1CCNC(=S)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C12H11ClFN3OS/c13-8-1-2-11(16-7-8)17-12(19)15-5-3-10-9(14)4-6-18-10/h1-2,4,6-7H,3,5H2,(H2,15,16,17,19)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	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