BDBM50249787 CHEMBL4103077

SMILES: COc1cc2n(C)c(=O)c(C)cc2cc1NS(=O)(=O)c1ccc(cc1OC)C#N

InChI Key: InChIKey=LQDXWIYREJVTTB-UHFFFAOYSA-N

Data: 5 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 = 50249787   

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
DNA Gyrase (Escherichia coli (strain K12))	BDBM50249787 (CHEMBL4752218) Show SMILES COc1cc2n(C)c(=O)c(C)cc2cc1NS(=O)(=O)c1ccc(cc1OC)C#N Show InChI InChI=1S/C20H19N3O5S/c1-12-7-14-9-15(17(27-3)10-16(14)23(2)20(12)24)22-29(25,26)19-6-5-13(11-21)8-18(19)28-4/h5-10,22H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details
					More data for this Ligand-Target Pair