Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'fukuhara' and Initial = 'n'   

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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50441620 (CHEMBL2437199) Show SMILES CNC(=O)N1CCN(CCN1)c1ccc(cc1F)N1C[C@H](CNC(=S)OC)OC1=O |r| Show InChI InChI=1S/C18H25FN6O4S/c1-20-16(26)25-8-7-23(6-5-22-25)15-4-3-12(9-14(15)19)24-11-13(29-18(24)27)10-21-17(30)28-2/h3-4,9,13,22H,5-8,10-11H2,1-2H3,(H,20,26)(H,21,30)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Foundation Itsuu Laboratory Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation after 20 mins by LC/MS/MS analysis				Eur J Med Chem 69: 262-77 (2013) Article DOI: 10.1016/j.ejmech.2013.08.002 BindingDB Entry DOI: 10.7270/Q2DJ5H39
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50116067 ((Linezolid)N-[3-(3-Fluoro-4-morpholin-4-yl-phenyl)...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 |r| Show InChI InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Foundation Itsuu Laboratory Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 assessed as ethoxyresorufin O-deethylation after 20 mins by fluorescence plate reader analysis				Eur J Med Chem 63: 811-25 (2013) Article DOI: 10.1016/j.ejmech.2013.03.003 BindingDB Entry DOI: 10.7270/Q29K4CMD
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50441620 (CHEMBL2437199) Show SMILES CNC(=O)N1CCN(CCN1)c1ccc(cc1F)N1C[C@H](CNC(=S)OC)OC1=O |r| Show InChI InChI=1S/C18H25FN6O4S/c1-20-16(26)25-8-7-23(6-5-22-25)15-4-3-12(9-14(15)19)24-11-13(29-18(24)27)10-21-17(30)28-2/h3-4,9,13,22H,5-8,10-11H2,1-2H3,(H,20,26)(H,21,30)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Foundation Itsuu Laboratory Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes assessed as tolbutamide hydroxylation after 20 mins by LC/MS/MS analysis				Eur J Med Chem 69: 262-77 (2013) Article DOI: 10.1016/j.ejmech.2013.08.002 BindingDB Entry DOI: 10.7270/Q2DJ5H39
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50441621 (CHEMBL2437330) Show SMILES COC(=S)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCNN(CC2)C(=O)C(F)F)c(F)c1 |r| Show InChI InChI=1S/C18H22F3N5O4S/c1-29-17(31)22-9-12-10-25(18(28)30-12)11-2-3-14(13(19)8-11)24-5-4-23-26(7-6-24)16(27)15(20)21/h2-3,8,12,15,23H,4-7,9-10H2,1H3,(H,22,31)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Foundation Itsuu Laboratory Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes assessed as tolbutamide hydroxylation after 20 mins by LC/MS/MS analysis				Eur J Med Chem 69: 262-77 (2013) Article DOI: 10.1016/j.ejmech.2013.08.002 BindingDB Entry DOI: 10.7270/Q2DJ5H39
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50441620 (CHEMBL2437199) Show SMILES CNC(=O)N1CCN(CCN1)c1ccc(cc1F)N1C[C@H](CNC(=S)OC)OC1=O |r| Show InChI InChI=1S/C18H25FN6O4S/c1-20-16(26)25-8-7-23(6-5-22-25)15-4-3-12(9-14(15)19)24-11-13(29-18(24)27)10-21-17(30)28-2/h3-4,9,13,22H,5-8,10-11H2,1-2H3,(H,20,26)(H,21,30)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Foundation Itsuu Laboratory Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes assessed as ethoxyresorufin O-deethylation after 20 mins by fluorescence plate reader analysis				Eur J Med Chem 69: 262-77 (2013) Article DOI: 10.1016/j.ejmech.2013.08.002 BindingDB Entry DOI: 10.7270/Q2DJ5H39
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50441621 (CHEMBL2437330) Show SMILES COC(=S)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCNN(CC2)C(=O)C(F)F)c(F)c1 |r| Show InChI InChI=1S/C18H22F3N5O4S/c1-29-17(31)22-9-12-10-25(18(28)30-12)11-2-3-14(13(19)8-11)24-5-4-23-26(7-6-24)16(27)15(20)21/h2-3,8,12,15,23H,4-7,9-10H2,1H3,(H,22,31)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Foundation Itsuu Laboratory Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes assessed as ethoxyresorufin O-deethylation after 20 mins by fluorescence plate reader analysis				Eur J Med Chem 69: 262-77 (2013) Article DOI: 10.1016/j.ejmech.2013.08.002 BindingDB Entry DOI: 10.7270/Q2DJ5H39
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50433366 (CHEMBL2377663) Show SMILES COC(=S)NC[C@H]1CN(C(=O)O1)c1cc(F)c(N2CCNN(CC2)C(=O)CO)c(F)c1 |r| Show InChI InChI=1S/C18H23F2N5O5S/c1-29-17(31)21-8-12-9-24(18(28)30-12)11-6-13(19)16(14(20)7-11)23-3-2-22-25(5-4-23)15(27)10-26/h6-7,12,22,26H,2-5,8-10H2,1H3,(H,21,31)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Foundation Itsuu Laboratory Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 assessed as dextromethorphan O-demethylation after 20 mins by LC/MS/MS analysis				Eur J Med Chem 63: 811-25 (2013) Article DOI: 10.1016/j.ejmech.2013.03.003 BindingDB Entry DOI: 10.7270/Q29K4CMD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50433367 (CHEMBL2377662) Show SMILES COC(=S)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCNN(CC2)C(=O)CO)c(F)c1 |r| Show InChI InChI=1S/C18H24FN5O5S/c1-28-17(30)20-9-13-10-23(18(27)29-13)12-2-3-15(14(19)8-12)22-5-4-21-24(7-6-22)16(26)11-25/h2-3,8,13,21,25H,4-7,9-11H2,1H3,(H,20,30)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Foundation Itsuu Laboratory Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 assessed as dextromethorphan O-demethylation after 20 mins by LC/MS/MS analysis				Eur J Med Chem 63: 811-25 (2013) Article DOI: 10.1016/j.ejmech.2013.03.003 BindingDB Entry DOI: 10.7270/Q29K4CMD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50433368 (EPEREZOLID | U-100592) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CO)c(F)c1 |r| Show InChI InChI=1S/C18H23FN4O5/c1-12(25)20-9-14-10-23(18(27)28-14)13-2-3-16(15(19)8-13)21-4-6-22(7-5-21)17(26)11-24/h2-3,8,14,24H,4-7,9-11H2,1H3,(H,20,25)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Foundation Itsuu Laboratory Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 assessed as dextromethorphan O-demethylation after 20 mins by LC/MS/MS analysis				Eur J Med Chem 63: 811-25 (2013) Article DOI: 10.1016/j.ejmech.2013.03.003 BindingDB Entry DOI: 10.7270/Q29K4CMD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50116067 ((Linezolid)N-[3-(3-Fluoro-4-morpholin-4-yl-phenyl)...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 |r| Show InChI InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Foundation Itsuu Laboratory Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 assessed as dextromethorphan O-demethylation after 20 mins by LC/MS/MS analysis				Eur J Med Chem 63: 811-25 (2013) Article DOI: 10.1016/j.ejmech.2013.03.003 BindingDB Entry DOI: 10.7270/Q29K4CMD
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50433366 (CHEMBL2377663) Show SMILES COC(=S)NC[C@H]1CN(C(=O)O1)c1cc(F)c(N2CCNN(CC2)C(=O)CO)c(F)c1 |r| Show InChI InChI=1S/C18H23F2N5O5S/c1-29-17(31)21-8-12-9-24(18(28)30-12)11-6-13(19)16(14(20)7-11)23-3-2-22-25(5-4-23)15(27)10-26/h6-7,12,22,26H,2-5,8-10H2,1H3,(H,21,31)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Foundation Itsuu Laboratory Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 assessed as tolbutamide hydroxylation after 20 mins by LC/MS/MS analysis				Eur J Med Chem 63: 811-25 (2013) Article DOI: 10.1016/j.ejmech.2013.03.003 BindingDB Entry DOI: 10.7270/Q29K4CMD
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50433367 (CHEMBL2377662) Show SMILES COC(=S)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCNN(CC2)C(=O)CO)c(F)c1 |r| Show InChI InChI=1S/C18H24FN5O5S/c1-28-17(30)20-9-13-10-23(18(27)29-13)12-2-3-15(14(19)8-12)22-5-4-21-24(7-6-22)16(26)11-25/h2-3,8,13,21,25H,4-7,9-11H2,1H3,(H,20,30)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Foundation Itsuu Laboratory Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 assessed as tolbutamide hydroxylation after 20 mins by LC/MS/MS analysis				Eur J Med Chem 63: 811-25 (2013) Article DOI: 10.1016/j.ejmech.2013.03.003 BindingDB Entry DOI: 10.7270/Q29K4CMD
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50433368 (EPEREZOLID | U-100592) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CO)c(F)c1 |r| Show InChI InChI=1S/C18H23FN4O5/c1-12(25)20-9-14-10-23(18(27)28-14)13-2-3-16(15(19)8-13)21-4-6-22(7-5-21)17(26)11-24/h2-3,8,14,24H,4-7,9-11H2,1H3,(H,20,25)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Foundation Itsuu Laboratory Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 assessed as tolbutamide hydroxylation after 20 mins by LC/MS/MS analysis				Eur J Med Chem 63: 811-25 (2013) Article DOI: 10.1016/j.ejmech.2013.03.003 BindingDB Entry DOI: 10.7270/Q29K4CMD
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50116067 ((Linezolid)N-[3-(3-Fluoro-4-morpholin-4-yl-phenyl)...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 |r| Show InChI InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Foundation Itsuu Laboratory Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 assessed as tolbutamide hydroxylation after 20 mins by LC/MS/MS analysis				Eur J Med Chem 63: 811-25 (2013) Article DOI: 10.1016/j.ejmech.2013.03.003 BindingDB Entry DOI: 10.7270/Q29K4CMD
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50433366 (CHEMBL2377663) Show SMILES COC(=S)NC[C@H]1CN(C(=O)O1)c1cc(F)c(N2CCNN(CC2)C(=O)CO)c(F)c1 |r| Show InChI InChI=1S/C18H23F2N5O5S/c1-29-17(31)21-8-12-9-24(18(28)30-12)11-6-13(19)16(14(20)7-11)23-3-2-22-25(5-4-23)15(27)10-26/h6-7,12,22,26H,2-5,8-10H2,1H3,(H,21,31)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Foundation Itsuu Laboratory Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 assessed as ethoxyresorufin O-deethylation after 20 mins by fluorescence plate reader analysis				Eur J Med Chem 63: 811-25 (2013) Article DOI: 10.1016/j.ejmech.2013.03.003 BindingDB Entry DOI: 10.7270/Q29K4CMD
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50433367 (CHEMBL2377662) Show SMILES COC(=S)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCNN(CC2)C(=O)CO)c(F)c1 |r| Show InChI InChI=1S/C18H24FN5O5S/c1-28-17(30)20-9-13-10-23(18(27)29-13)12-2-3-15(14(19)8-12)22-5-4-21-24(7-6-22)16(26)11-25/h2-3,8,13,21,25H,4-7,9-11H2,1H3,(H,20,30)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Foundation Itsuu Laboratory Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 assessed as ethoxyresorufin O-deethylation after 20 mins by fluorescence plate reader analysis				Eur J Med Chem 63: 811-25 (2013) Article DOI: 10.1016/j.ejmech.2013.03.003 BindingDB Entry DOI: 10.7270/Q29K4CMD
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50433368 (EPEREZOLID | U-100592) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CO)c(F)c1 |r| Show InChI InChI=1S/C18H23FN4O5/c1-12(25)20-9-14-10-23(18(27)28-14)13-2-3-16(15(19)8-13)21-4-6-22(7-5-21)17(26)11-24/h2-3,8,14,24H,4-7,9-11H2,1H3,(H,20,25)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Foundation Itsuu Laboratory Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 assessed as ethoxyresorufin O-deethylation after 20 mins by fluorescence plate reader analysis				Eur J Med Chem 63: 811-25 (2013) Article DOI: 10.1016/j.ejmech.2013.03.003 BindingDB Entry DOI: 10.7270/Q29K4CMD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50441621 (CHEMBL2437330) Show SMILES COC(=S)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCNN(CC2)C(=O)C(F)F)c(F)c1 |r| Show InChI InChI=1S/C18H22F3N5O4S/c1-29-17(31)22-9-12-10-25(18(28)30-12)11-2-3-14(13(19)8-11)24-5-4-23-26(7-6-24)16(27)15(20)21/h2-3,8,12,15,23H,4-7,9-10H2,1H3,(H,22,31)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Foundation Itsuu Laboratory Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation after 20 mins by LC/MS/MS analysis				Eur J Med Chem 69: 262-77 (2013) Article DOI: 10.1016/j.ejmech.2013.08.002 BindingDB Entry DOI: 10.7270/Q2DJ5H39
					More data for this Ligand-Target Pair