Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 221.6 BDBM50515744Purchase

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

Found 2 hits 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 2 (Homo sapiens (Human))	BDBM50515744 (CHEMBL4441570) Show SMILES Clc1ccc(NC2=CC(=O)CCC2)cc1 |t:6| Show InChI InChI=1S/C12H12ClNO/c13-9-4-6-10(7-5-9)14-11-2-1-3-12(15)8-11/h4-8,14H,1-3H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	513	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha incubated for 2 mins using arachidonic acid as substrate by ELISA				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111601 BindingDB Entry DOI: 10.7270/Q20V8H5Q
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 1 (Ovis aries)	BDBM50515744 (CHEMBL4441570) Show SMILES Clc1ccc(NC2=CC(=O)CCC2)cc1 |t:6| Show InChI InChI=1S/C12H12ClNO/c13-9-4-6-10(7-5-9)14-11-2-1-3-12(15)8-11/h4-8,14H,1-3H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGF2alpha incubated for 2 mins using arachidonic acid as substrate by ELISA				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111601 BindingDB Entry DOI: 10.7270/Q20V8H5Q
					More data for this Ligand-Target Pair