BDBM2859 1-(5-bromopyridin-2-yl)-3-[2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl]thiourea::LY300046HCl Analog 10::PETT deriv. 9

SMILES: CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1Cl

InChI Key: InChIKey=DTHZUSMREBJMBT-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 2859   

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)	BDBM2859 (1-(5-bromopyridin-2-yl)-3-[2-(2-chloro-3-ethoxy-6-...) Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1Cl Show InChI InChI=1S/C16H16BrClFN3OS/c1-2-23-13-5-4-12(19)11(15(13)18)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	7.8	37
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 (Human immunodeficiency virus type 1)	BDBM2859 (1-(5-bromopyridin-2-yl)-3-[2-(2-chloro-3-ethoxy-6-...) Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1Cl Show InChI InChI=1S/C16H16BrClFN3OS/c1-2-23-13-5-4-12(19)11(15(13)18)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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.				Bioorg Med Chem Lett 10: 265-8 (2000) Article DOI: 10.1016/s0960-894x(99)00675-7 BindingDB Entry DOI: 10.7270/Q2DF6PDR
					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C) (Human immunodeficiency virus type 1)	BDBM2859 (1-(5-bromopyridin-2-yl)-3-[2-(2-chloro-3-ethoxy-6-...) Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1Cl Show InChI InChI=1S/C16H16BrClFN3OS/c1-2-23-13-5-4-12(19)11(15(13)18)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.8	37
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)	BDBM2859 (1-(5-bromopyridin-2-yl)-3-[2-(2-chloro-3-ethoxy-6-...) Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1Cl Show InChI InChI=1S/C16H16BrClFN3OS/c1-2-23-13-5-4-12(19)11(15(13)18)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	7.8	37
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