BDBM50206060 1-(2,5-dimethoxyphenethyl)-3-(5-bromopyridin-2-yl)thiourea::1-(5-Bromo-pyridin-2-yl)-3-[2-(2,5-dimethoxy-phenyl)-ethyl]-thiourea::1-(5-bromopyridin-2-yl)-3-(2,5-dimethoxyphenethyl)thiourea::CHEMBL240416::HI-236

SMILES: COc1ccc(OC)c(CCNC(=S)Nc2ccc(Br)cn2)c1

InChI Key: InChIKey=GNLVRKKIIIVZHZ-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 = 50206060   

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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50206060 (1-(2,5-dimethoxyphenethyl)-3-(5-bromopyridin-2-yl)...) Show SMILES COc1ccc(OC)c(CCNC(=S)Nc2ccc(Br)cn2)c1 Show InChI InChI=1S/C16H18BrN3O2S/c1-21-13-4-5-14(22-2)11(9-13)7-8-18-16(23)20-15-6-3-12(17)10-19-15/h3-6,9-10H,7-8H2,1-2H3,(H2,18,19,20,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 reverse transcriptase				Bioorg Med Chem Lett 10: 87-90 (2000) BindingDB Entry DOI: 10.7270/Q27080NB
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50206060 (1-(2,5-dimethoxyphenethyl)-3-(5-bromopyridin-2-yl)...) Show SMILES COc1ccc(OC)c(CCNC(=S)Nc2ccc(Br)cn2)c1 Show InChI InChI=1S/C16H18BrN3O2S/c1-21-13-4-5-14(22-2)11(9-13)7-8-18-16(23)20-15-6-3-12(17)10-19-15/h3-6,9-10H,7-8H2,1-2H3,(H2,18,19,20,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of HIV1 3B reverse transcriptase				Bioorg Med Chem 16: 10270-80 (2008) Article DOI: 10.1016/j.bmc.2008.10.048 BindingDB Entry DOI: 10.7270/Q2SJ1PD9
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50206060 (1-(2,5-dimethoxyphenethyl)-3-(5-bromopyridin-2-yl)...) Show SMILES COc1ccc(OC)c(CCNC(=S)Nc2ccc(Br)cn2)c1 Show InChI InChI=1S/C16H18BrN3O2S/c1-21-13-4-5-14(22-2)11(9-13)7-8-18-16(23)20-15-6-3-12(17)10-19-15/h3-6,9-10H,7-8H2,1-2H3,(H2,18,19,20,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase-mediated thymidine incorporation into D23/D36 primer-template preincubated for 15 mins by polyacrylamide gel...				Bioorg Med Chem 18: 4661-73 (2010) Article DOI: 10.1016/j.bmc.2010.05.025 BindingDB Entry DOI: 10.7270/Q2NS0XQ1
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50206060 (1-(2,5-dimethoxyphenethyl)-3-(5-bromopyridin-2-yl)...) Show SMILES COc1ccc(OC)c(CCNC(=S)Nc2ccc(Br)cn2)c1 Show InChI InChI=1S/C16H18BrN3O2S/c1-21-13-4-5-14(22-2)11(9-13)7-8-18-16(23)20-15-6-3-12(17)10-19-15/h3-6,9-10H,7-8H2,1-2H3,(H2,18,19,20,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of purified recombinant HIV-1 reverse transcriptase				Bioorg Med Chem Lett 9: 1593-8 (1999) BindingDB Entry DOI: 10.7270/Q27H1K3Q
					More data for this Ligand-Target Pair