Compile Data Set for Download or QSAR

Found 7 hits of ki for UniProtKB: P22734   

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
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50019329 (CHEMBL1089318) Show SMILES Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(n1)-c1cc(O)c(O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C15H10Cl2N4O6/c1-5-10(13(17)20(24)6(2)11(5)16)14-18-15(27-19-14)7-3-8(21(25)26)12(23)9(22)4-7/h3-4,22-23H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Inc. Curated by ChEMBL					Assay Description Inhibition of catalytic activity of rat COMT expressed in Escherichia coli using [3H]-S-adenosylmethionine as substrate after 20 mins by liquid scint...				J Med Chem 57: 5459-63 (2014) Article DOI: 10.1021/jm500475k BindingDB Entry DOI: 10.7270/Q2G73G9B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50019331 (CHEMBL3289430) Show SMILES Cc1nn(C)cc1-c1cc[nH]n1 Show InChI InChI=1S/C8H10N4/c1-6-7(5-12(2)11-6)8-3-4-9-10-8/h3-5H,1-2H3,(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.58E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Inc. Curated by ChEMBL					Assay Description Inhibition of catalytic activity of rat COMT expressed in Escherichia coli using [3H]-S-adenosylmethionine as substrate after 20 mins by liquid scint...				J Med Chem 57: 5459-63 (2014) Article DOI: 10.1021/jm500475k BindingDB Entry DOI: 10.7270/Q2G73G9B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50012672 (2-(5,6-Dihydroxy-1H-indol-3-yl)-ethyl-ammonium | 2...) Show SMILES NCCc1c[nH]c2cc(O)c(O)cc12 Show InChI InChI=1S/C10H12N2O2/c11-2-1-6-5-12-8-4-10(14)9(13)3-7(6)8/h3-5,12-14H,1-2,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.28E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Kinetic constants for the inactivation of Catechol O-methyltransferase by the compound				J Med Chem 25: 263-71 (1982) BindingDB Entry DOI: 10.7270/Q2G15ZV0
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50028545 (7-Methyl-1H-indole-5,6-diol | CHEMBL431031) Show SMILES Cc1c(O)c(O)cc2cc[nH]c12 Show InChI InChI=1S/C9H9NO2/c1-5-8-6(2-3-10-8)4-7(11)9(5)12/h2-4,10-12H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.14E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Kinetic constants for the inactivation of Catechol O-methyltransferase by the compound				J Med Chem 25: 263-71 (1982) BindingDB Entry DOI: 10.7270/Q2G15ZV0
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50028548 (1H-indole-5,6-diol | 5,6-dihydroxyindole | CHEMBL9...) Show SMILES Oc1cc2cc[nH]c2cc1O Show InChI InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	3.46E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Kinetic constants for the inactivation of Catechol O-methyltransferase by the compound				J Med Chem 25: 263-71 (1982) BindingDB Entry DOI: 10.7270/Q2G15ZV0
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50028546 (4,7-Dimethyl-1H-indole-5,6-diol | CHEMBL90203) Show SMILES Cc1c(O)c(O)c(C)c2[nH]ccc12 Show InChI InChI=1S/C10H11NO2/c1-5-7-3-4-11-8(7)6(2)10(13)9(5)12/h3-4,11-13H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.26E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Kinetic constants for the inactivation of Catechol O-methyltransferase by the compound				J Med Chem 25: 263-71 (1982) BindingDB Entry DOI: 10.7270/Q2G15ZV0
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50028547 (4-Methyl-1H-indole-5,6-diol | CHEMBL90571) Show SMILES Cc1c(O)c(O)cc2[nH]ccc12 Show InChI InChI=1S/C9H9NO2/c1-5-6-2-3-10-7(6)4-8(11)9(5)12/h2-4,10-12H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.52E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Kinetic constants for the inactivation of Catechol O-methyltransferase by the compound				J Med Chem 25: 263-71 (1982) BindingDB Entry DOI: 10.7270/Q2G15ZV0
					More data for this Ligand-Target Pair