Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 212.2 BDBM50548147

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
Lanosterol synthase (Rattus norvegicus)	BDBM50548147 (CHEMBL4785476) Show SMILES Cc1nc2cc(C)ccn2c1-c1cc[nH]n1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild-type human COMT expressed in Escherichia coli BL21 using 4-nitrocatechol-Alexa488 as substrate in presence of cofactor...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PK0KS1
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50548147 (CHEMBL4785476) Show SMILES Cc1nc2cc(C)ccn2c1-c1cc[nH]n1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human wild-type SUMO-tagged catechol O-methyltransferase assessed as dissociation constant by surface plasmon resonance analysis				Citation and Details BindingDB Entry DOI: 10.7270/Q2PK0KS1
					More data for this Ligand-Target Pair