Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'coppens' and Initial = 'i'   

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 (Homo sapiens (Human))	BDBM50133285 ((E)-3-Carboxy-acrylateallyl-{6-[4-(4-chloro-benzoy...) Show SMILES C[NH+](CCCCCCOc1ccc(C(=O)c2ccc(Cl)cc2)c(F)c1)CC=C Show InChI InChI=1S/C23H27ClFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Tested for Oxidosqualene-lanosterol cyclase inhibition in T. brucei				J Med Chem 46: 4240-3 (2003) Article DOI: 10.1021/jm034126t BindingDB Entry DOI: 10.7270/Q26W99GV
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50133285 ((E)-3-Carboxy-acrylateallyl-{6-[4-(4-chloro-benzoy...) Show SMILES C[NH+](CCCCCCOc1ccc(C(=O)c2ccc(Cl)cc2)c(F)c1)CC=C Show InChI InChI=1S/C23H27ClFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Tested for Oxidosqualene-lanosterol cyclase inhibition in P. carinii				J Med Chem 46: 4240-3 (2003) Article DOI: 10.1021/jm034126t BindingDB Entry DOI: 10.7270/Q26W99GV
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50095601 (CHEMBL25405 | [4-(1-Aza-bicyclo[2.2.2]oct-3-yloxy)...) Show SMILES Clc1ccc(cc1)C(=O)c1ccc(OC2CN3CCC2CC3)cc1 |THB:13:14:20.21:18.17,(8.94,-7.02,;7.44,-6.62,;7.03,-5.14,;5.55,-4.75,;4.47,-5.85,;4.87,-7.34,;6.36,-7.72,;2.98,-5.45,;1.89,-6.55,;2.57,-3.96,;1.08,-3.58,;.68,-2.09,;1.76,-.99,;1.36,.49,;-.13,.89,;-1.37,.23,;-2.35,1.8,;-4.22,1.75,;-2.98,2.49,;-1.1,2.42,;-.62,3.39,;-1.73,3.01,;3.25,-1.38,;3.65,-2.86,)| Show InChI InChI=1S/C20H20ClNO2/c21-17-5-1-15(2-6-17)20(23)16-3-7-18(8-4-16)24-19-13-22-11-9-14(19)10-12-22/h1-8,14,19H,9-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Tested for Oxidosqualene-lanosterol cyclase inhibition in T. brucei				J Med Chem 46: 4240-3 (2003) Article DOI: 10.1021/jm034126t BindingDB Entry DOI: 10.7270/Q26W99GV
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50133285 ((E)-3-Carboxy-acrylateallyl-{6-[4-(4-chloro-benzoy...) Show SMILES C[NH+](CCCCCCOc1ccc(C(=O)c2ccc(Cl)cc2)c(F)c1)CC=C Show InChI InChI=1S/C23H27ClFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3/p+1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Tested for Oxidosqualene-lanosterol cyclase inhibition in rat				J Med Chem 46: 4240-3 (2003) Article DOI: 10.1021/jm034126t BindingDB Entry DOI: 10.7270/Q26W99GV
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50133285 ((E)-3-Carboxy-acrylateallyl-{6-[4-(4-chloro-benzoy...) Show SMILES C[NH+](CCCCCCOc1ccc(C(=O)c2ccc(Cl)cc2)c(F)c1)CC=C Show InChI InChI=1S/C23H27ClFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Tested for Oxidosqualene-lanosterol cyclase inhibition in T. cruzi				J Med Chem 46: 4240-3 (2003) Article DOI: 10.1021/jm034126t BindingDB Entry DOI: 10.7270/Q26W99GV
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50095601 (CHEMBL25405 | [4-(1-Aza-bicyclo[2.2.2]oct-3-yloxy)...) Show SMILES Clc1ccc(cc1)C(=O)c1ccc(OC2CN3CCC2CC3)cc1 |THB:13:14:20.21:18.17,(8.94,-7.02,;7.44,-6.62,;7.03,-5.14,;5.55,-4.75,;4.47,-5.85,;4.87,-7.34,;6.36,-7.72,;2.98,-5.45,;1.89,-6.55,;2.57,-3.96,;1.08,-3.58,;.68,-2.09,;1.76,-.99,;1.36,.49,;-.13,.89,;-1.37,.23,;-2.35,1.8,;-4.22,1.75,;-2.98,2.49,;-1.1,2.42,;-.62,3.39,;-1.73,3.01,;3.25,-1.38,;3.65,-2.86,)| Show InChI InChI=1S/C20H20ClNO2/c21-17-5-1-15(2-6-17)20(23)16-3-7-18(8-4-16)24-19-13-22-11-9-14(19)10-12-22/h1-8,14,19H,9-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Tested for Oxidosqualene-lanosterol cyclase inhibition in P. carinii				J Med Chem 46: 4240-3 (2003) Article DOI: 10.1021/jm034126t BindingDB Entry DOI: 10.7270/Q26W99GV
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50095601 (CHEMBL25405 | [4-(1-Aza-bicyclo[2.2.2]oct-3-yloxy)...) Show SMILES Clc1ccc(cc1)C(=O)c1ccc(OC2CN3CCC2CC3)cc1 |THB:13:14:20.21:18.17,(8.94,-7.02,;7.44,-6.62,;7.03,-5.14,;5.55,-4.75,;4.47,-5.85,;4.87,-7.34,;6.36,-7.72,;2.98,-5.45,;1.89,-6.55,;2.57,-3.96,;1.08,-3.58,;.68,-2.09,;1.76,-.99,;1.36,.49,;-.13,.89,;-1.37,.23,;-2.35,1.8,;-4.22,1.75,;-2.98,2.49,;-1.1,2.42,;-.62,3.39,;-1.73,3.01,;3.25,-1.38,;3.65,-2.86,)| Show InChI InChI=1S/C20H20ClNO2/c21-17-5-1-15(2-6-17)20(23)16-3-7-18(8-4-16)24-19-13-22-11-9-14(19)10-12-22/h1-8,14,19H,9-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Tested for Oxidosqualene-lanosterol cyclase inhibition in rat				J Med Chem 46: 4240-3 (2003) Article DOI: 10.1021/jm034126t BindingDB Entry DOI: 10.7270/Q26W99GV
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50133286 (CHEMBL132091 | [3-(Biphenyl-4-yloxy)-propyl]-dimet...) Show SMILES CN(C)CCCOc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H21NO/c1-18(2)13-6-14-19-17-11-9-16(10-12-17)15-7-4-3-5-8-15/h3-5,7-12H,6,13-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Tested for Oxidosqualene-lanosterol cyclase inhibition in T. brucei				J Med Chem 46: 4240-3 (2003) Article DOI: 10.1021/jm034126t BindingDB Entry DOI: 10.7270/Q26W99GV
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50095601 (CHEMBL25405 | [4-(1-Aza-bicyclo[2.2.2]oct-3-yloxy)...) Show SMILES Clc1ccc(cc1)C(=O)c1ccc(OC2CN3CCC2CC3)cc1 |THB:13:14:20.21:18.17,(8.94,-7.02,;7.44,-6.62,;7.03,-5.14,;5.55,-4.75,;4.47,-5.85,;4.87,-7.34,;6.36,-7.72,;2.98,-5.45,;1.89,-6.55,;2.57,-3.96,;1.08,-3.58,;.68,-2.09,;1.76,-.99,;1.36,.49,;-.13,.89,;-1.37,.23,;-2.35,1.8,;-4.22,1.75,;-2.98,2.49,;-1.1,2.42,;-.62,3.39,;-1.73,3.01,;3.25,-1.38,;3.65,-2.86,)| Show InChI InChI=1S/C20H20ClNO2/c21-17-5-1-15(2-6-17)20(23)16-3-7-18(8-4-16)24-19-13-22-11-9-14(19)10-12-22/h1-8,14,19H,9-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Tested for Oxidosqualene-lanosterol cyclase inhibition in T. cruzi				J Med Chem 46: 4240-3 (2003) Article DOI: 10.1021/jm034126t BindingDB Entry DOI: 10.7270/Q26W99GV
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50133286 (CHEMBL132091 | [3-(Biphenyl-4-yloxy)-propyl]-dimet...) Show SMILES CN(C)CCCOc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H21NO/c1-18(2)13-6-14-19-17-11-9-16(10-12-17)15-7-4-3-5-8-15/h3-5,7-12H,6,13-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Tested for Oxidosqualene-lanosterol cyclase inhibition in T. cruzi				J Med Chem 46: 4240-3 (2003) Article DOI: 10.1021/jm034126t BindingDB Entry DOI: 10.7270/Q26W99GV
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50133286 (CHEMBL132091 | [3-(Biphenyl-4-yloxy)-propyl]-dimet...) Show SMILES CN(C)CCCOc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H21NO/c1-18(2)13-6-14-19-17-11-9-16(10-12-17)15-7-4-3-5-8-15/h3-5,7-12H,6,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Tested for Oxidosqualene-lanosterol cyclase inhibition in rat				J Med Chem 46: 4240-3 (2003) Article DOI: 10.1021/jm034126t BindingDB Entry DOI: 10.7270/Q26W99GV
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50133286 (CHEMBL132091 | [3-(Biphenyl-4-yloxy)-propyl]-dimet...) Show SMILES CN(C)CCCOc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H21NO/c1-18(2)13-6-14-19-17-11-9-16(10-12-17)15-7-4-3-5-8-15/h3-5,7-12H,6,13-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Tested for Oxidosqualene-lanosterol cyclase inhibition in P. carinii				J Med Chem 46: 4240-3 (2003) Article DOI: 10.1021/jm034126t BindingDB Entry DOI: 10.7270/Q26W99GV
					More data for this Ligand-Target Pair