BDBM1806 2-Amino-6-arylthiobenzonitrile deriv. 3z::2-amino-6-{[3-methoxy-5-(trifluoromethyl)benzene]sulfonyl}benzonitrile

SMILES: COc1cc(cc(c1)S(=O)(=O)c1cccc(N)c1C#N)C(F)(F)F

InChI Key: InChIKey=POZPQWWKQDWCKE-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 = 1806   

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)	BDBM1806 (2-Amino-6-arylthiobenzonitrile deriv. 3z | 2-amino...) Show SMILES COc1cc(cc(c1)S(=O)(=O)c1cccc(N)c1C#N)C(F)(F)F Show InChI InChI=1S/C15H11F3N2O3S/c1-23-10-5-9(15(16,17)18)6-11(7-10)24(21,22)14-4-2-3-13(20)12(14)8-19/h2-7H,20H2,1H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM1806 (2-Amino-6-arylthiobenzonitrile deriv. 3z | 2-amino...) Show SMILES COc1cc(cc(c1)S(=O)(=O)c1cccc(N)c1C#N)C(F)(F)F Show InChI InChI=1S/C15H11F3N2O3S/c1-23-10-5-9(15(16,17)18)6-11(7-10)24(21,22)14-4-2-3-13(20)12(14)8-19/h2-7H,20H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV-1 reverse transcriptase				Citation and Details Article DOI: 10.1007/s00044-013-0765-3 BindingDB Entry DOI: 10.7270/Q2W66PQQ
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM1806 (2-Amino-6-arylthiobenzonitrile deriv. 3z | 2-amino...) Show SMILES COc1cc(cc(c1)S(=O)(=O)c1cccc(N)c1C#N)C(F)(F)F Show InChI InChI=1S/C15H11F3N2O3S/c1-23-10-5-9(15(16,17)18)6-11(7-10)24(21,22)14-4-2-3-13(20)12(14)8-19/h2-7H,20H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Eur J Med Chem 44: 2158-71 (2009) Article DOI: 10.1016/j.ejmech.2008.10.021 BindingDB Entry DOI: 10.7270/Q21R6T9R
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM1806 (2-Amino-6-arylthiobenzonitrile deriv. 3z | 2-amino...) Show SMILES COc1cc(cc(c1)S(=O)(=O)c1cccc(N)c1C#N)C(F)(F)F Show InChI InChI=1S/C15H11F3N2O3S/c1-23-10-5-9(15(16,17)18)6-11(7-10)24(21,22)14-4-2-3-13(20)12(14)8-19/h2-7H,20H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibitory concentration against Reverse transcriptase				J Med Chem 48: 3756-67 (2005) Article DOI: 10.1021/jm049162m BindingDB Entry DOI: 10.7270/Q2XS5WQ0
					More data for this Ligand-Target Pair