Identical Ligands in BindingDB

Found 7 hits Enzyme Inhibition Constant Data   

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
Phenylethanolamine N-methyltransferase   (282/282 = 100%)† (Homo sapiens (Human))	BDBM14060 (7-Iodo-1,2,3,4-tetrahydroisoquinoline | CHEMBL2682...) Show SMILES Ic1ccc2CCNCc2c1 Show InChI InChI=1S/C9H10IN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	DrugBank MMDB PDB Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to human wild type his-tagged PNMT				J Med Chem 48: 7243-52 (2005) Article DOI: 10.1021/jm050568o BindingDB Entry DOI: 10.7270/Q2QC049M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phenylethanolamine N-methyltransferase   (282/282 = 100%)† (Homo sapiens (Human))	BDBM14060 (7-Iodo-1,2,3,4-tetrahydroisoquinoline | CHEMBL2682...) Show SMILES Ic1ccc2CCNCc2c1 Show InChI InChI=1S/C9H10IN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	DrugBank MMDB PDB Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibitory activity against human PNMT				Bioorg Med Chem Lett 15: 5319-23 (2005) Article DOI: 10.1016/j.bmcl.2005.08.033 BindingDB Entry DOI: 10.7270/Q20V8CB9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phenylethanolamine N-methyltransferase   (237/279 = 85%)† (Bos taurus (bovine))	BDBM14060 (7-Iodo-1,2,3,4-tetrahydroisoquinoline | CHEMBL2682...) Show SMILES Ic1ccc2CCNCc2c1 Show InChI InChI=1S/C9H10IN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	370	-38.2	n/a	n/a	n/a	n/a	n/a	8.0	37
University of Queensland					Assay Description Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...				J Med Chem 47: 37-44 (2004) Article DOI: 10.1021/jm0205752 BindingDB Entry DOI: 10.7270/Q21R6NRH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phenylethanolamine N-methyltransferase   (237/279 = 85%)† (Bos taurus (bovine))	BDBM14060 (7-Iodo-1,2,3,4-tetrahydroisoquinoline | CHEMBL2682...) Show SMILES Ic1ccc2CCNCc2c1 Show InChI InChI=1S/C9H10IN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)				J Med Chem 42: 118-34 (1999) Article DOI: 10.1021/jm980429p BindingDB Entry DOI: 10.7270/Q2K35VBN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phenylethanolamine N-methyltransferase   (237/279 = 85%)† (Bos taurus (bovine))	BDBM14060 (7-Iodo-1,2,3,4-tetrahydroisoquinoline | CHEMBL2682...) Show SMILES Ic1ccc2CCNCc2c1 Show InChI InChI=1S/C9H10IN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	PDB PubMed	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)				Bioorg Med Chem Lett 9: 481-6 (1999) BindingDB Entry DOI: 10.7270/Q26Q20F9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phenylethanolamine N-methyltransferase   (237/279 = 85%)† (Bos taurus (bovine))	BDBM50009672 (AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...) Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant was evaluated against PNMT				J Med Chem 28: 478-82 (1985) BindingDB Entry DOI: 10.7270/Q2WM1DZS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phenylethanolamine N-methyltransferase   (237/279 = 85%)† (Bos taurus (bovine))	BDBM50009672 (AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...) Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant was evaluated against PNMT				J Med Chem 28: 478-82 (1985) BindingDB Entry DOI: 10.7270/Q2WM1DZS
					More data for this Ligand-Target Pair				3D Structure (crystal)

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