null

SMILES: Cc1cc(O)c2C(=O)C=CC(=O)c2c1-c1c(C)cc2C(=O)C=CC(=O)c2c1O

InChI Key: InChIKey=OEEOHKZVBKYMBA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 93040   

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
Replicase polyprotein 1ab (2019-nCoV)	BDBM93040 (Isodiospyrin | MAR-UNI-c84db004-17) Show SMILES Cc1cc(O)c2C(=O)C=CC(=O)c2c1-c1c(C)cc2C(=O)C=CC(=O)c2c1O |c:8,23,(4.47,.97,;5.81,1.74,;5.81,3.28,;7.14,4.05,;7.14,5.59,;8.47,3.28,;9.85,4.1,;9.83,5.64,;11.25,3.31,;11.25,1.71,;9.85,.92,;9.85,-.58,;8.47,1.74,;7.14,.97,;7.14,-.57,;8.47,-1.34,;9.81,-2.11,;8.47,-2.88,;7.14,-3.65,;7.16,-5.25,;8.51,-6.01,;5.78,-6.07,;4.39,-5.26,;4.4,-3.66,;3.08,-2.88,;5.81,-2.88,;5.81,-1.34,;4.47,-.57,)| Show InChI InChI=1S/C22H14O6/c1-9-7-11-12(23)3-4-13(24)19(11)22(28)18(9)17-10(2)8-16(27)20-14(25)5-6-15(26)21(17)20/h3-8,27-28H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem		n/a	n/a	8.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Israel Institution of Biological Research					Assay Description The assay was performed according to the published procedure. Briefly, compounds were seeded into assay-ready plates (Greiner 384PP, cat# 781280) usi...				bioRxiv 2021: (2021)
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM93040 (Isodiospyrin | MAR-UNI-c84db004-17) Show SMILES Cc1cc(O)c2C(=O)C=CC(=O)c2c1-c1c(C)cc2C(=O)C=CC(=O)c2c1O |c:8,23,(4.47,.97,;5.81,1.74,;5.81,3.28,;7.14,4.05,;7.14,5.59,;8.47,3.28,;9.85,4.1,;9.83,5.64,;11.25,3.31,;11.25,1.71,;9.85,.92,;9.85,-.58,;8.47,1.74,;7.14,.97,;7.14,-.57,;8.47,-1.34,;9.81,-2.11,;8.47,-2.88,;7.14,-3.65,;7.16,-5.25,;8.51,-6.01,;5.78,-6.07,;4.39,-5.26,;4.4,-3.66,;3.08,-2.88,;5.81,-2.88,;5.81,-1.34,;4.47,-.57,)| Show InChI InChI=1S/C22H14O6/c1-9-7-11-12(23)3-4-13(24)19(11)22(28)18(9)17-10(2)8-16(27)20-14(25)5-6-15(26)21(17)20/h3-8,27-28H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
John Innes Centre					Assay Description Mycobacterium tuberculosis gyrase supercoiling, relaxation, and decatenation assays were carried out as described previously.				J Biol Chem 288: 5149-56 (2013) Article DOI: 10.1074/jbc.M112.419069 BindingDB Entry DOI: 10.7270/Q2V69H6R
					More data for this Ligand-Target Pair