BDBM65578 Synthesized Sulfanylacrylonitril Derivatives 22

SMILES: CS\C(Nc1cc(C)cc(C)c1)=C(\C#N)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=OQZIIWMFMTVSMT-ZCXUNETKSA-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 = 65578   

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
AP-4-A phosphorylase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM65578 (Synthesized Sulfanylacrylonitril Derivatives 22) Show SMILES CS\C(Nc1cc(C)cc(C)c1)=C(\C#N)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H18N2O2S2/c1-13-9-14(2)11-15(10-13)20-18(23-3)17(12-19)24(21,22)16-7-5-4-6-8-16/h4-11,20H,1-3H3/b18-17-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	n/a
University of Konstanz					Assay Description Dose response curves against Rv2613c with 1 as the substrate for derivatives 5 and 18. 8 nM of Rv2613c were preincubated in buffer (20 mM Tris-HCl (p...				ACS Chem Biol 12: 2682-2689 (2017) Article DOI: 10.1021/acschembio.7b00653 BindingDB Entry DOI: 10.7270/Q2CV4FW6
					More data for this Ligand-Target Pair