Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'okoro' and Initial = 'co'   

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 (Homo sapiens (Human))	BDBM13014 (7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...) Show SMILES Clc1ccc2CCNCc2c1Cl Show InChI InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	3.10	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 (Homo sapiens (Human))	BDBM50174121 (7-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline | ...) Show SMILES CC1Cc2ccc(Br)cc2CN1 Show InChI InChI=1S/C10H12BrN/c1-7-4-8-2-3-10(11)5-9(8)6-12-7/h2-3,5,7,12H,4,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	17	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
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM13023 (3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7...) Show SMILES NS(=O)(=O)c1ccc2CC(CO)NCc2c1 Show InChI InChI=1S/C10H14N2O3S/c11-16(14,15)10-2-1-7-3-9(6-13)12-5-8(7)4-10/h1-2,4,9,12-13H,3,5-6H2,(H2,11,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	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 (docked)
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50077543 (3-Methyl-7-nitro-1,2,3,4-tetrahydro-isoquinoline |...) Show SMILES CC1Cc2ccc(cc2CN1)[N+]([O-])=O Show InChI InChI=1S/C10H12N2O2/c1-7-4-8-2-3-10(12(13)14)5-9(8)6-11-7/h2-3,5,7,11H,4,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	72	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 (docked)
Phenylethanolamine N-methyltransferase (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 (Homo sapiens (Human))	BDBM13017 (1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | CHE...) Show SMILES NS(=O)(=O)c1ccc2CCNCc2c1 Show InChI InChI=1S/C9H12N2O2S/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2,(H2,10,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article 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 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 (Homo sapiens (Human))	BDBM50174120 ((R)-7-chloro-3-(trifluoromethyl)-1,2,3,4-tetrahydr...) Show SMILES FC(F)(F)[C@H]1Cc2ccc(Cl)cc2CN1 Show InChI InChI=1S/C10H9ClF3N/c11-8-2-1-6-4-9(10(12,13)14)15-5-7(6)3-8/h1-3,9,15H,4-5H2/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	460	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
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50174127 (7-bromo-3-ethyl-1,2,3,4-tetrahydroisoquinoline | C...) Show SMILES CCC1Cc2ccc(Br)cc2CN1 Show InChI InChI=1S/C11H14BrN/c1-2-11-6-8-3-4-10(12)5-9(8)7-13-11/h3-5,11,13H,2,6-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	480	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
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50174119 (3-ethyl-7-nitro-1,2,3,4-tetrahydroisoquinoline | C...) Show SMILES CCC1Cc2ccc(cc2CN1)[N+]([O-])=O Show InChI InChI=1S/C11H14N2O2/c1-2-10-5-8-3-4-11(13(14)15)6-9(8)7-12-10/h3-4,6,10,12H,2,5,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	490	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 (docked)
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50174126 ((R)-3,7-bis(trifluoromethyl)-1,2,3,4-tetrahydroiso...) Show SMILES FC(F)(F)[C@H]1Cc2ccc(cc2CN1)C(F)(F)F Show InChI InChI=1S/C11H9F6N/c12-10(13,14)8-2-1-6-4-9(11(15,16)17)18-5-7(6)3-8/h1-3,9,18H,4-5H2/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	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
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50174123 ((R)-7-iodo-3-(trifluoromethyl)-1,2,3,4-tetrahydroi...) Show SMILES FC(F)(F)[C@H]1Cc2ccc(I)cc2CN1 Show InChI InChI=1S/C10H9F3IN/c11-10(12,13)9-4-6-1-2-8(14)3-7(6)5-15-9/h1-3,9,15H,4-5H2/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	940	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
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50174129 (3,7-bis(trifluoromethyl)-1,2,3,4-tetrahydroisoquin...) Show SMILES FC(F)(F)C1Cc2ccc(cc2CN1)C(F)(F)F Show InChI InChI=1S/C11H9F6N/c12-10(13,14)8-2-1-6-4-9(11(15,16)17)18-5-7(6)3-8/h1-3,9,18H,4-5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	980	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
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50174124 (7-chloro-3-(trifluoromethyl)-1,2,3,4-tetrahydroiso...) Show SMILES FC(F)(F)C1Cc2ccc(Cl)cc2CN1 Show InChI InChI=1S/C10H9ClF3N/c11-8-2-1-6-4-9(10(12,13)14)15-5-7(6)3-8/h1-3,9,15H,4-5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	990	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
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50174130 ((R)-7-Nitro-3-trifluoromethyl-1,2,3,4-tetrahydro-i...) Show SMILES [O-][N+](=O)c1ccc2C[C@@H](NCc2c1)C(F)(F)F Show InChI InChI=1S/C10H9F3N2O2/c11-10(12,13)9-4-6-1-2-8(15(16)17)3-7(6)5-14-9/h1-3,9,14H,4-5H2/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+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 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 (docked)
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50174125 (7-iodo-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoqu...) Show SMILES FC(F)(F)C1Cc2ccc(I)cc2CN1 Show InChI InChI=1S/C10H9F3IN/c11-10(12,13)9-4-6-1-2-8(14)3-7(6)5-15-9/h1-3,9,15H,4-5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+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 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
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50174131 ((S)-7-chloro-3-(trifluoromethyl)-1,2,3,4-tetrahydr...) Show SMILES FC(F)(F)[C@@H]1Cc2ccc(Cl)cc2CN1 Show InChI InChI=1S/C10H9ClF3N/c11-8-2-1-6-4-9(10(12,13)14)15-5-7(6)3-8/h1-3,9,15H,4-5H2/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+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 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
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50174116 ((S)-3,7-bis(trifluoromethyl)-1,2,3,4-tetrahydroiso...) Show SMILES FC(F)(F)[C@@H]1Cc2ccc(cc2CN1)C(F)(F)F Show InChI InChI=1S/C11H9F6N/c12-10(13,14)8-2-1-6-4-9(11(15,16)17)18-5-7(6)3-8/h1-3,9,18H,4-5H2/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+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 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
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50079900 (7-Nitro-3-trifluoromethyl-1,2,3,4-tetrahydro-isoqu...) Show SMILES [O-][N+](=O)c1ccc2CC(NCc2c1)C(F)(F)F Show InChI InChI=1S/C10H9F3N2O2/c11-10(12,13)9-4-6-1-2-8(15(16)17)3-7(6)5-14-9/h1-3,9,14H,4-5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+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 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
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50079902 (7-Bromo-3-trifluoromethyl-1,2,3,4-tetrahydro-isoqu...) Show SMILES FC(F)(F)C1Cc2ccc(Br)cc2CN1 Show InChI InChI=1S/C10H9BrF3N/c11-8-2-1-6-4-9(10(12,13)14)15-5-7(6)3-8/h1-3,9,15H,4-5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+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 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
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50174128 ((S)-7-iodo-3-(trifluoromethyl)-1,2,3,4-tetrahydroi...) Show SMILES FC(F)(F)[C@@H]1Cc2ccc(I)cc2CN1 Show InChI InChI=1S/C10H9F3IN/c11-10(12,13)9-4-6-1-2-8(14)3-7(6)5-15-9/h1-3,9,15H,4-5H2/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+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 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
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50174115 ((S)-7-Nitro-3-trifluoromethyl-1,2,3,4-tetrahydro-i...) Show SMILES [O-][N+](=O)c1ccc2C[C@H](NCc2c1)C(F)(F)F Show InChI InChI=1S/C10H9F3N2O2/c11-10(12,13)9-4-6-1-2-8(15(16)17)3-7(6)5-14-9/h1-3,9,14H,4-5H2/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40E+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 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 (docked)
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50174114 (7-bromo-3-isopropyl-1,2,3,4-tetrahydroisoquinoline...) Show SMILES CC(C)C1Cc2ccc(Br)cc2CN1 Show InChI InChI=1S/C12H16BrN/c1-8(2)12-6-9-3-4-11(13)5-10(9)7-14-12/h3-5,8,12,14H,6-7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40E+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 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
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50174118 (3-isopropyl-7-nitro-1,2,3,4-tetrahydroisoquinoline...) Show SMILES CC(C)C1Cc2ccc(cc2CN1)[N+]([O-])=O Show InChI InChI=1S/C12H16N2O2/c1-8(2)12-6-9-3-4-11(14(15)16)5-10(9)7-13-12/h3-5,8,12-13H,6-7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+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 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
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50174122 (3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline...) Show SMILES NS(=O)(=O)c1ccc2CC(NCc2c1)C(F)(F)F Show InChI InChI=1S/C10H11F3N2O2S/c11-10(12,13)9-4-6-1-2-8(18(14,16)17)3-7(6)5-15-9/h1-3,9,15H,4-5H2,(H2,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+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 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 (docked)
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50079899 (3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline...) Show SMILES FC(F)(F)C1Cc2ccc(cc2CN1)C#N Show InChI InChI=1S/C11H9F3N2/c12-11(13,14)10-4-8-2-1-7(5-15)3-9(8)6-16-10/h1-3,10,16H,4,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+4	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
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50079904 (3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline...) Show SMILES FC(F)(F)C1Cc2ccccc2CN1 Show InChI InChI=1S/C10H10F3N/c11-10(12,13)9-5-7-3-1-2-4-8(7)6-14-9/h1-4,9,14H,5-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30E+4	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
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50079901 (7-(methylsulfonyl)-3-(trifluoromethyl)-1,2,3,4-tet...) Show SMILES CS(=O)(=O)c1ccc2CC(NCc2c1)C(F)(F)F Show InChI InChI=1S/C11H12F3NO2S/c1-18(16,17)9-3-2-7-5-10(11(12,13)14)15-6-8(7)4-9/h2-4,10,15H,5-6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+4	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
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50174117 (CHEMBL199008 | N-ethyl-3-(trifluoromethyl)-1,2,3,4...) Show SMILES CCNS(=O)(=O)c1ccc2CC(NCc2c1)C(F)(F)F Show InChI InChI=1S/C12H15F3N2O2S/c1-2-17-20(18,19)10-4-3-8-6-11(12(13,14)15)16-7-9(8)5-10/h3-5,11,16-17H,2,6-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+4	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