Identical Ligands in BindingDB

Found 11 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))	BDBM14061 (8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |...) Show SMILES Clc1ccc2CCCNCc2c1Cl Show InChI InChI=1S/C10H11Cl2N/c11-9-4-3-7-2-1-5-13-6-8(7)10(9)12/h3-4,13H,1-2,5-6H2	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	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory binding affinity for phenylethanolamine N-methyltransferase (PNMT)				Bioorg Med Chem Lett 14: 4217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.06.009 BindingDB Entry DOI: 10.7270/Q2R49Q6M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phenylethanolamine N-methyltransferase   (237/279 = 85%)† (Bos taurus (bovine))	BDBM14061 (8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |...) Show SMILES Clc1ccc2CCCNCc2c1Cl Show InChI InChI=1S/C10H11Cl2N/c11-9-4-3-7-2-1-5-13-6-8(7)10(9)12/h3-4,13H,1-2,5-6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	PDB PubMed	220	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 constant against bovine phenylethanolamine N-methyl-transferase				Bioorg Med Chem Lett 11: 1579-82 (2001) BindingDB Entry DOI: 10.7270/Q2GF0V17
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phenylethanolamine N-methyltransferase   (237/279 = 85%)† (Bos taurus (bovine))	BDBM14061 (8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |...) Show SMILES Clc1ccc2CCCNCc2c1Cl Show InChI InChI=1S/C10H11Cl2N/c11-9-4-3-7-2-1-5-13-6-8(7)10(9)12/h3-4,13H,1-2,5-6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	260	-39.1	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))	BDBM14061 (8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |...) Show SMILES Clc1ccc2CCCNCc2c1Cl Show InChI InChI=1S/C10H11Cl2N/c11-9-4-3-7-2-1-5-13-6-8(7)10(9)12/h3-4,13H,1-2,5-6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of PNMT (Phenylethanolamine N-Methyltransferase) in vitro				J Med Chem 42: 3315-23 (1999) Article DOI: 10.1021/jm980734a BindingDB Entry DOI: 10.7270/Q2513XD6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phenylethanolamine N-methyltransferase   (237/279 = 85%)† (Bos taurus (bovine))	BDBM14061 (8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |...) Show SMILES Clc1ccc2CCCNCc2c1Cl Show InChI InChI=1S/C10H11Cl2N/c11-9-4-3-7-2-1-5-13-6-8(7)10(9)12/h3-4,13H,1-2,5-6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Affinity for bovine Phenylethanolamine N-Methyltransferase (PNMT)				J Med Chem 42: 3588-601 (1999) Article DOI: 10.1021/jm990045e BindingDB Entry DOI: 10.7270/Q2NV9HFK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phenylethanolamine N-methyltransferase   (237/279 = 85%)† (Bos taurus (bovine))	BDBM14061 (8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |...) Show SMILES Clc1ccc2CCCNCc2c1Cl Show InChI InChI=1S/C10H11Cl2N/c11-9-4-3-7-2-1-5-13-6-8(7)10(9)12/h3-4,13H,1-2,5-6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	PDB PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Ability to inhibit phenylethanolamine N-methyltransferase (PNMT)				J Med Chem 44: 2849-56 (2001) BindingDB Entry DOI: 10.7270/Q2N58KNT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phenylethanolamine N-methyltransferase   (282/282 = 100%)† (Homo sapiens (Human))	BDBM14061 (8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |...) Show SMILES Clc1ccc2CCCNCc2c1Cl Show InChI InChI=1S/C10H11Cl2N/c11-9-4-3-7-2-1-5-13-6-8(7)10(9)12/h3-4,13H,1-2,5-6H2	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 PubMed	280	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 constant against human phenylethanolamine N-methyl-transferase over-expressed in Escherichia coli				Bioorg Med Chem Lett 11: 1579-82 (2001) BindingDB Entry DOI: 10.7270/Q2GF0V17
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phenylethanolamine N-methyltransferase   (237/279 = 85%)† (Bos taurus (bovine))	BDBM14061 (8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |...) Show SMILES Clc1ccc2CCCNCc2c1Cl Show InChI InChI=1S/C10H11Cl2N/c11-9-4-3-7-2-1-5-13-6-8(7)10(9)12/h3-4,13H,1-2,5-6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	PDB PubMed	1.39E+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   (282/282 = 100%)† (Homo sapiens (Human))	BDBM14061 (8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |...) Show SMILES Clc1ccc2CCCNCc2c1Cl Show InChI InChI=1S/C10H11Cl2N/c11-9-4-3-7-2-1-5-13-6-8(7)10(9)12/h3-4,13H,1-2,5-6H2	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	4.40E+3	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   (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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