Compile Data Set for Download or QSAR

Found 109 hits with Last Name = 'cote' and Initial = 'jm'   

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
Lipopolysaccharide heptosyltransferase 1 (Escherichia coli (strain K12))	BDBM34103 (D-glucose | dextrose | glucose) Show SMILES OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wesleyan University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Heptosyltransferase I assessed as reduction in ADP release using ODLA and ADP-heptose substrates in presence of phosph...				Bioorg Med Chem Lett 28: 594-600 (2018) Article DOI: 10.1016/j.bmcl.2018.01.040 BindingDB Entry DOI: 10.7270/Q2J38W63
					More data for this Ligand-Target Pair
Lipopolysaccharide heptosyltransferase 1 (Escherichia coli (strain K12))	BDBM50454776 (CHEMBL4209246) Show SMILES CCCC\C=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H24O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h5-6,9-17H,2-4,7-8H2,1H3/b6-5+/t9-,10-,11+,12-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	3.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wesleyan University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Heptosyltransferase I assessed as reduction in ADP release using ODLA and ADP-heptose substrates in presence of phosph...				Bioorg Med Chem Lett 28: 594-600 (2018) Article DOI: 10.1016/j.bmcl.2018.01.040 BindingDB Entry DOI: 10.7270/Q2J38W63
					More data for this Ligand-Target Pair
Lipopolysaccharide heptosyltransferase 1 (Escherichia coli (strain K12))	BDBM20876 ((2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxyoxane-...) Show SMILES CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wesleyan University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Heptosyltransferase I assessed as reduction in ADP release using ODLA and ADP-heptose substrates in presence of phosph...				Bioorg Med Chem Lett 28: 594-600 (2018) Article DOI: 10.1016/j.bmcl.2018.01.040 BindingDB Entry DOI: 10.7270/Q2J38W63
					More data for this Ligand-Target Pair
Lipopolysaccharide heptosyltransferase 1 (Escherichia coli (strain K12))	BDBM228805 (Galactose) Show SMILES OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wesleyan University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Heptosyltransferase I assessed as reduction in ADP release using ODLA and ADP-heptose substrates in presence of phosph...				Bioorg Med Chem Lett 28: 594-600 (2018) Article DOI: 10.1016/j.bmcl.2018.01.040 BindingDB Entry DOI: 10.7270/Q2J38W63
					More data for this Ligand-Target Pair
Lipopolysaccharide heptosyltransferase 1 (Escherichia coli (strain K12))	BDBM50454780 (CHEMBL4212177) Show SMILES CCCCCCCC\C=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H32O6/c1-2-3-4-5-6-7-8-9-10-11-22-17-16(21)15(20)14(19)13(12-18)23-17/h9-10,13-21H,2-8,11-12H2,1H3/b10-9+/t13-,14-,15+,16-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	5.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wesleyan University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Heptosyltransferase I assessed as reduction in ADP release using ODLA and ADP-heptose substrates in presence of phosph...				Bioorg Med Chem Lett 28: 594-600 (2018) Article DOI: 10.1016/j.bmcl.2018.01.040 BindingDB Entry DOI: 10.7270/Q2J38W63
					More data for this Ligand-Target Pair
Lipopolysaccharide heptosyltransferase 1 (Escherichia coli (strain K12))	BDBM50454777 (CHEMBL4205643) Show SMILES CCCC\C=C\CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H24O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h5-6,9-17H,2-4,7-8H2,1H3/b6-5+/t9-,10+,11+,12-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	5.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wesleyan University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Heptosyltransferase I assessed as reduction in ADP release using ODLA and ADP-heptose substrates in presence of phosph...				Bioorg Med Chem Lett 28: 594-600 (2018) Article DOI: 10.1016/j.bmcl.2018.01.040 BindingDB Entry DOI: 10.7270/Q2J38W63
					More data for this Ligand-Target Pair
Lipopolysaccharide heptosyltransferase 1 (Escherichia coli (strain K12))	BDBM50454779 (CHEMBL4213641) Show SMILES OC[C@H]1O[C@@H](OCC=C)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C9H16O6/c1-2-3-14-9-8(13)7(12)6(11)5(4-10)15-9/h2,5-13H,1,3-4H2/t5-,6-,7+,8-,9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	6.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wesleyan University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Heptosyltransferase I assessed as reduction in ADP release using ODLA and ADP-heptose substrates in presence of phosph...				Bioorg Med Chem Lett 28: 594-600 (2018) Article DOI: 10.1016/j.bmcl.2018.01.040 BindingDB Entry DOI: 10.7270/Q2J38W63
					More data for this Ligand-Target Pair
Lipopolysaccharide heptosyltransferase 1 (Escherichia coli (strain K12))	BDBM50454778 (CHEBI:320055 | CHEMBL132186) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	6.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wesleyan University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Heptosyltransferase I assessed as reduction in ADP release using ODLA and ADP-heptose substrates in presence of phosph...				Bioorg Med Chem Lett 28: 594-600 (2018) Article DOI: 10.1016/j.bmcl.2018.01.040 BindingDB Entry DOI: 10.7270/Q2J38W63
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50555366 (CHEMBL4747214) Show SMILES Cc1cc(NC2CCc3cc(Br)ccc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG by patch clamp electrophysiology assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50555369 (CHEMBL4740960) Show SMILES Cc1cc(NC2CCc3cc(F)ccc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG by patch clamp electrophysiology assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50555367 (CHEMBL4753862) Show SMILES Cc1cc(NC2CCc3ccc(Br)cc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG by patch clamp electrophysiology assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50555364 (CHEMBL4761666) Show SMILES Cc1cc(NC2CCc3cc(Cl)ccc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG by patch clamp electrophysiology assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50555365 (CHEMBL4751920) Show SMILES Cc1cc(N[C@H]2CCc3ccc(Cl)cc3C2)n2nc(nc2n1)C(C)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG by patch clamp electrophysiology assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50365230 (CHEMBL1956285 | US11903936, Compound DSM265 | US92...) Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2nc(nc2n1)C(C)(F)F Show InChI InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG by patch clamp electrophysiology assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50555368 (CHEMBL4794107) Show SMILES Cc1cc(NC2Cc3cc(F)c(F)cc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG by patch clamp electrophysiology assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50555372 (CHEMBL4744317) Show SMILES COc1ccc2CCC(Cc2c1)Nc1cc(C)nc2nc(nn12)C(C)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG by patch clamp electrophysiology assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50555365 (CHEMBL4751920) Show SMILES Cc1cc(N[C@H]2CCc3ccc(Cl)cc3C2)n2nc(nc2n1)C(C)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C9 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Mus musculus)	BDBM50365230 (CHEMBL1956285 | US11903936, Compound DSM265 | US92...) Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2nc(nc2n1)C(C)(F)F Show InChI InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged mouse DHODH expressed in Escherichia coli BL21 using L-DHO as substrate and CoQ as co-substrate by DCIP dye base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50365230 (CHEMBL1956285 | US11903936, Compound DSM265 | US92...) Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2nc(nc2n1)C(C)(F)F Show InChI InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged rat DHODH expressed in Escherichia coli BL21 expressed in Escherichia coli BL21 using L-DHO as substrate and CoQ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50555365 (CHEMBL4751920) Show SMILES Cc1cc(N[C@H]2CCc3ccc(Cl)cc3C2)n2nc(nc2n1)C(C)(F)F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50555367 (CHEMBL4753862) Show SMILES Cc1cc(NC2CCc3ccc(Br)cc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C9 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50555367 (CHEMBL4753862) Show SMILES Cc1cc(NC2CCc3ccc(Br)cc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50555368 (CHEMBL4794107) Show SMILES Cc1cc(NC2Cc3cc(F)c(F)cc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50555366 (CHEMBL4747214) Show SMILES Cc1cc(NC2CCc3cc(Br)ccc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C9 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50555364 (CHEMBL4761666) Show SMILES Cc1cc(NC2CCc3cc(Cl)ccc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C9 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50555367 (CHEMBL4753862) Show SMILES Cc1cc(NC2CCc3ccc(Br)cc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C8 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50555366 (CHEMBL4747214) Show SMILES Cc1cc(NC2CCc3cc(Br)ccc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2B6 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50555364 (CHEMBL4761666) Show SMILES Cc1cc(NC2CCc3cc(Cl)ccc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2B6 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50555368 (CHEMBL4794107) Show SMILES Cc1cc(NC2Cc3cc(F)c(F)cc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C9 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50555366 (CHEMBL4747214) Show SMILES Cc1cc(NC2CCc3cc(Br)ccc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C8 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50555366 (CHEMBL4747214) Show SMILES Cc1cc(NC2CCc3cc(Br)ccc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50555364 (CHEMBL4761666) Show SMILES Cc1cc(NC2CCc3cc(Cl)ccc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50555365 (CHEMBL4751920) Show SMILES Cc1cc(N[C@H]2CCc3ccc(Cl)cc3C2)n2nc(nc2n1)C(C)(F)F |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C8 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50555364 (CHEMBL4761666) Show SMILES Cc1cc(NC2CCc3cc(Cl)ccc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C8 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50555368 (CHEMBL4794107) Show SMILES Cc1cc(NC2Cc3cc(F)c(F)cc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2B6 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50555367 (CHEMBL4753862) Show SMILES Cc1cc(NC2CCc3ccc(Br)cc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2B6 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50555365 (CHEMBL4751920) Show SMILES Cc1cc(N[C@H]2CCc3ccc(Cl)cc3C2)n2nc(nc2n1)C(C)(F)F |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2B6 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50555368 (CHEMBL4794107) Show SMILES Cc1cc(NC2Cc3cc(F)c(F)cc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 in human liver microsomes using isoform-specific probe substrate in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50555367 (CHEMBL4753862) Show SMILES Cc1cc(NC2CCc3ccc(Br)cc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 in human liver microsomes using isoform-specific probe substrate in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50555366 (CHEMBL4747214) Show SMILES Cc1cc(NC2CCc3cc(Br)ccc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 in human liver microsomes using isoform-specific probe substrate in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50555365 (CHEMBL4751920) Show SMILES Cc1cc(N[C@H]2CCc3ccc(Cl)cc3C2)n2nc(nc2n1)C(C)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 in human liver microsomes using isoform-specific probe substrate in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50555364 (CHEMBL4761666) Show SMILES Cc1cc(NC2CCc3cc(Cl)ccc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 in human liver microsomes using isoform-specific probe substrate in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50555364 (CHEMBL4761666) Show SMILES Cc1cc(NC2CCc3cc(Cl)ccc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C19 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50555368 (CHEMBL4794107) Show SMILES Cc1cc(NC2Cc3cc(F)c(F)cc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C19 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50555365 (CHEMBL4751920) Show SMILES Cc1cc(N[C@H]2CCc3ccc(Cl)cc3C2)n2nc(nc2n1)C(C)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C19 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50555366 (CHEMBL4747214) Show SMILES Cc1cc(NC2CCc3cc(Br)ccc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C19 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50555367 (CHEMBL4753862) Show SMILES Cc1cc(NC2CCc3ccc(Br)cc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C19 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50555368 (CHEMBL4794107) Show SMILES Cc1cc(NC2Cc3cc(F)c(F)cc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50555364 (CHEMBL4761666) Show SMILES Cc1cc(NC2CCc3cc(Cl)ccc3C2)n2nc(nc2n1)C(C)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50555365 (CHEMBL4751920) Show SMILES Cc1cc(N[C@H]2CCc3ccc(Cl)cc3C2)n2nc(nc2n1)C(C)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b00275 BindingDB Entry DOI: 10.7270/Q2R78JVQ
					More data for this Ligand-Target Pair

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