BDBM1765 2-Amino-6-arylthiobenzonitrile deriv. 2j::2-amino-6-[(2-cyanobenzene)sulfinyl]benzonitrile::CHEMBL294212

SMILES: Nc1cccc(c1C#N)S(=O)c1ccccc1C#N

InChI Key: InChIKey=SAAMTBNDGHUYAE-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 2 hits for monomerid = 1765   

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)	BDBM1765 (2-Amino-6-arylthiobenzonitrile deriv. 2j | 2-amino...) Show SMILES Nc1cccc(c1C#N)S(=O)c1ccccc1C#N Show InChI InChI=1S/C14H9N3OS/c15-8-10-4-1-2-6-13(10)19(18)14-7-3-5-12(17)11(14)9-16/h1-7H,17H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.77E+3	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
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM1765 (2-Amino-6-arylthiobenzonitrile deriv. 2j | 2-amino...) Show SMILES Nc1cccc(c1C#N)S(=O)c1ccccc1C#N Show InChI InChI=1S/C14H9N3OS/c15-8-10-4-1-2-6-13(10)19(18)14-7-3-5-12(17)11(14)9-16/h1-7H,17H2	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+3	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				3D Structure (docked)