BDBM50083679 1-(2-Benzo[1,3]dioxol-5-yl-ethyl)-3-(5-bromo-pyridin-2-yl)-thiourea::CHEMBL114559

SMILES: Brc1ccc(NC(=S)NCCc2ccc3OCOc3c2)nc1

InChI Key: InChIKey=RMTZVWHPEFNWIZ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50083679   

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)	BDBM50083679 (1-(2-Benzo[1,3]dioxol-5-yl-ethyl)-3-(5-bromo-pyrid...) Show SMILES Brc1ccc(NC(=S)NCCc2ccc3OCOc3c2)nc1 Show InChI InChI=1S/C15H14BrN3O2S/c16-11-2-4-14(18-8-11)19-15(22)17-6-5-10-1-3-12-13(7-10)21-9-20-12/h1-4,7-8H,5-6,9H2,(H2,17,18,19,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assay system				Bioorg Med Chem Lett 9: 3411-6 (2000) BindingDB Entry DOI: 10.7270/Q2SX6CD8
					More data for this Ligand-Target Pair