Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1744   

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
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM337806 ((1E,3E)-1-(6-fluoropyridin-3-yl)-2-methylpent-1-en...) Show SMILES CC\C(=N/O)\C(\C)=C\c1ccc(F)nc1 Show InChI InChI=1S/C11H13FN2O/c1-3-10(14-15)8(2)6-9-4-5-11(12)13-7-9/h4-7,15H,3H2,1-2H3/b8-6+,14-10+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
ABBVIE INC. US Patent					Assay Description Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...				US Patent US9751850 (2017) BindingDB Entry DOI: 10.7270/Q2QJ7KDQ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM337809 ((1E,3E)-2-methyl-1-thien-3-ylpent-1-en-3-one oxime...) Show SMILES CC\C(=N/O)\C(\C)=C\c1ccsc1 Show InChI InChI=1S/C10H13NOS/c1-3-10(11-12)8(2)6-9-4-5-13-7-9/h4-7,12H,3H2,1-2H3/b8-6+,11-10+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
ABBVIE INC. US Patent					Assay Description Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...				US Patent US9751850 (2017) BindingDB Entry DOI: 10.7270/Q2QJ7KDQ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM337811 ((1E,3E)-2-methyl-1-pyridin-4-ylpent-1-en-3-one oxi...) Show SMILES CC\C(=N/O)\C(\C)=C\c1ccncc1 Show InChI InChI=1S/C11H14N2O/c1-3-11(13-14)9(2)8-10-4-6-12-7-5-10/h4-8,14H,3H2,1-2H3/b9-8+,13-11+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
ABBVIE INC. US Patent					Assay Description Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...				US Patent US9751850 (2017) BindingDB Entry DOI: 10.7270/Q2QJ7KDQ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM337807 ((1E,3E)-2-methyl-1-thien-2-ylpent-1-en-3-one oxime...) Show SMILES CC\C(=N/O)\C(\C)=C\c1cccs1 Show InChI InChI=1S/C10H13NOS/c1-3-10(11-12)8(2)7-9-5-4-6-13-9/h4-7,12H,3H2,1-2H3/b8-7+,11-10+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
ABBVIE INC. US Patent					Assay Description Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...				US Patent US9751850 (2017) BindingDB Entry DOI: 10.7270/Q2QJ7KDQ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM337810 ((1E,3E)-2-methyl-1-pyridin-3-ylpent-1-en-3-one oxi...) Show SMILES CC\C(=N/O)\C(\C)=C\c1cccnc1 Show InChI InChI=1S/C11H14N2O/c1-3-11(13-14)9(2)7-10-5-4-6-12-8-10/h4-8,14H,3H2,1-2H3/b9-7+,13-11+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
ABBVIE INC. US Patent					Assay Description Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...				US Patent US9751850 (2017) BindingDB Entry DOI: 10.7270/Q2QJ7KDQ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM337808 ((1E,3E)-1-(6-methoxypyridin-3-yl)-2-methylpent-1-e...) Show SMILES CC\C(=N/O)\C(\C)=C\c1ccc(OC)nc1 Show InChI InChI=1S/C12H16N2O2/c1-4-11(14-15)9(2)7-10-5-6-12(16-3)13-8-10/h5-8,15H,4H2,1-3H3/b9-7+,14-11+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
ABBVIE INC. US Patent					Assay Description Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...				US Patent US9751850 (2017) BindingDB Entry DOI: 10.7270/Q2QJ7KDQ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM337816 ((1E,3E)-1-(isoquinolin-4-yl)-2-methylpent-1-en-3-o...) Show SMILES CC\C(=N/O)\C(\C)=C\c1cncc2ccccc12 Show InChI InChI=1S/C15H16N2O/c1-3-15(17-18)11(2)8-13-10-16-9-12-6-4-5-7-14(12)13/h4-10,18H,3H2,1-2H3/b11-8+,17-15+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
ABBVIE INC. US Patent					Assay Description Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...				US Patent US9751850 (2017) BindingDB Entry DOI: 10.7270/Q2QJ7KDQ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM337812 ((1E,3E)-2-methyl-1-(6-methylpyridin-3-yl)pent-1-en...) Show SMILES CC\C(=N/O)\C(\C)=C\c1ccc(C)nc1 Show InChI InChI=1S/C12H16N2O/c1-4-12(14-15)9(2)7-11-6-5-10(3)13-8-11/h5-8,15H,4H2,1-3H3/b9-7+,14-12+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
ABBVIE INC. US Patent					Assay Description Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...				US Patent US9751850 (2017) BindingDB Entry DOI: 10.7270/Q2QJ7KDQ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM337813 ((1E,3E)-2-methyl-1-quinolin-3-ylpent-1-en-3-one ox...) Show SMILES CC\C(=N/O)\C(\C)=C\c1cnc2ccccc2c1 Show InChI InChI=1S/C15H16N2O/c1-3-14(17-18)11(2)8-12-9-13-6-4-5-7-15(13)16-10-12/h4-10,18H,3H2,1-2H3/b11-8+,17-14+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
ABBVIE INC. US Patent					Assay Description Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...				US Patent US9751850 (2017) BindingDB Entry DOI: 10.7270/Q2QJ7KDQ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM337814 ((1E,3E)-2-methyl-1-(4-methylpyridin-3-yl)pent-1-en...) Show SMILES CC\C(=N/O)\C(\C)=C\c1cnccc1C Show InChI InChI=1S/C12H16N2O/c1-4-12(14-15)10(3)7-11-8-13-6-5-9(11)2/h5-8,15H,4H2,1-3H3/b10-7+,14-12+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
ABBVIE INC. US Patent					Assay Description Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...				US Patent US9751850 (2017) BindingDB Entry DOI: 10.7270/Q2QJ7KDQ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM337815 ((1E,3E)-2-methyl-1-[6-(trifluoromethyl)pyridin-3-y...) Show SMILES CC\C(=N/O)\C(\C)=C\c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C12H13F3N2O/c1-3-10(17-18)8(2)6-9-4-5-11(16-7-9)12(13,14)15/h4-7,18H,3H2,1-2H3/b8-6+,17-10+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
ABBVIE INC. US Patent					Assay Description Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...				US Patent US9751850 (2017) BindingDB Entry DOI: 10.7270/Q2QJ7KDQ
					More data for this Ligand-Target Pair