Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 405.4 BDBM50513906

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome c oxidase subunit 1 (Ovis aries)	BDBM50513906 (CHEMBL4549769) Show SMILES Cc1ccc(cc1C)-c1nn(-c2ccc(cc2)S(N)(=O)=O)c(=O)c2ccccc12 Show InChI InChI=1S/C22H19N3O3S/c1-14-7-8-16(13-15(14)2)21-19-5-3-4-6-20(19)22(26)25(24-21)17-9-11-18(12-10-17)29(23,27)28/h3-13H,1-2H3,(H2,23,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Y. B. Chavan College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of ovine COX1 preincubated for 5 mins followed by arachidonic acid addition and measured after 2 mins by colorimetric method				Bioorg Med Chem 27: 3979-3997 (2019) Article DOI: 10.1016/j.bmc.2019.07.050 BindingDB Entry DOI: 10.7270/Q28W3HMG
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