Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Catechol O-methyltransferase' and Ligand = 'BDBM50004043'   

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
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50004043 (3,4-Dihydroxy-5-Nitrobenzaldehyde (Rat) | 3,4-Dihy...) Show SMILES Oc1cc(C=O)cc(c1O)[N+]([O-])=O Show InChI InChI=1S/C7H5NO5/c9-3-4-1-5(8(12)13)7(11)6(10)2-4/h1-3,10-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Orion Corporation Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.				J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP
					More data for this Ligand-Target Pair				3D Structure (docked)
Catechol O-methyltransferase (Sus scrofa)	BDBM50004043 (3,4-Dihydroxy-5-Nitrobenzaldehyde (Rat) | 3,4-Dihy...) Show SMILES Oc1cc(C=O)cc(c1O)[N+]([O-])=O Show InChI InChI=1S/C7H5NO5/c9-3-4-1-5(8(12)13)7(11)6(10)2-4/h1-3,10-11H	MMDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Orgánica General (CSIC) Curated by ChEMBL					Assay Description In vitro inhibition of Catechol-O-methyltransferase (COMT) from isolated partially purified pig liver enzyme				J Med Chem 35: 4584-8 (1993) BindingDB Entry DOI: 10.7270/Q2X63KWW
					More data for this Ligand-Target Pair