BDBM1753 2-Amino-6-arylthiobenzonitrile deriv. 1w::2-amino-6-[(3-methoxy-5-methylphenyl)sulfanyl]benzonitrile

SMILES: COc1cc(C)cc(Sc2cccc(N)c2C#N)c1

InChI Key: InChIKey=RIZVXTYEBQZFCK-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 = 1753   

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)	BDBM1753 (2-Amino-6-arylthiobenzonitrile deriv. 1w | 2-amino...) Show SMILES COc1cc(C)cc(Sc2cccc(N)c2C#N)c1 Show InChI InChI=1S/C15H14N2OS/c1-10-6-11(18-2)8-12(7-10)19-15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	8.0	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)	BDBM1753 (2-Amino-6-arylthiobenzonitrile deriv. 1w | 2-amino...) Show SMILES COc1cc(C)cc(Sc2cccc(N)c2C#N)c1 Show InChI InChI=1S/C15H14N2OS/c1-10-6-11(18-2)8-12(7-10)19-15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	141	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)	BDBM1753 (2-Amino-6-arylthiobenzonitrile deriv. 1w | 2-amino...) Show SMILES COc1cc(C)cc(Sc2cccc(N)c2C#N)c1 Show InChI InChI=1S/C15H14N2OS/c1-10-6-11(18-2)8-12(7-10)19-15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+5	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)	BDBM1753 (2-Amino-6-arylthiobenzonitrile deriv. 1w | 2-amino...) Show SMILES COc1cc(C)cc(Sc2cccc(N)c2C#N)c1 Show InChI InChI=1S/C15H14N2OS/c1-10-6-11(18-2)8-12(7-10)19-15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	141	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