BDBM1769 2-Amino-6-arylthiobenzonitrile deriv. 2n::2-amino-6-[(3,5-dimethylbenzene)sulfinyl]benzonitrile::CHEMBL54318

SMILES: Cc1cc(C)cc(c1)S(=O)c1cccc(N)c1C#N

InChI Key: InChIKey=OFZRTOPTDCNZGE-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 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 = 1769   

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)	BDBM1769 (2-Amino-6-arylthiobenzonitrile deriv. 2n | 2-amino...) Show SMILES Cc1cc(C)cc(c1)S(=O)c1cccc(N)c1C#N Show InChI InChI=1S/C15H14N2OS/c1-10-6-11(2)8-12(7-10)19(18)15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	501	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)	BDBM1769 (2-Amino-6-arylthiobenzonitrile deriv. 2n | 2-amino...) Show SMILES Cc1cc(C)cc(c1)S(=O)c1cccc(N)c1C#N Show InChI InChI=1S/C15H14N2OS/c1-10-6-11(2)8-12(7-10)19(18)15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	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)