Compile Data Set for Download or QSAR

Found 163 hits with Last Name = 'basilla' and Initial = 'jb'   

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
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439218 (CHEMBL2418809) Show SMILES CC1CCCN(C1C)C(=O)c1nc(Nc2cc3OCOc3cc2F)sc1Cl Show InChI InChI=1S/C18H19ClFN3O3S/c1-9-4-3-5-23(10(9)2)17(24)15-16(19)27-18(22-15)21-12-7-14-13(6-11(12)20)25-8-26-14/h6-7,9-10H,3-5,8H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439217 (CHEMBL2418811) Show SMILES C[C@H]1CCCN([C@H]1C)C(=O)c1nc(Nc2ccc(Cl)cc2F)sc1C |r| Show InChI InChI=1S/C18H21ClFN3OS/c1-10-5-4-8-23(11(10)2)17(24)16-12(3)25-18(22-16)21-15-7-6-13(19)9-14(15)20/h6-7,9-11H,4-5,8H2,1-3H3,(H,21,22)/t10-,11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439220 (CHEMBL2418807) Show SMILES CC1CCCN(C1C)C(=O)c1csc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C18H21N3O3S/c1-11-4-3-7-21(12(11)2)17(22)14-9-25-18(20-14)19-13-5-6-15-16(8-13)24-10-23-15/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439219 (CHEMBL2418808) Show SMILES CC1CCCN(C1C)C(=O)c1nc(Nc2cc3OCOc3cc2F)sc1C Show InChI InChI=1S/C19H22FN3O3S/c1-10-5-4-6-23(11(10)2)18(24)17-12(3)27-19(22-17)21-14-8-16-15(7-13(14)20)25-9-26-16/h7-8,10-11H,4-6,9H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439213 (CHEMBL2418815) Show SMILES CC1N(CCc2ccccc12)C(=O)c1nc(Nc2ccc3OCOc3c2)sc1C Show InChI InChI=1S/C22H21N3O3S/c1-13-17-6-4-3-5-15(17)9-10-25(13)21(26)20-14(2)29-22(24-20)23-16-7-8-18-19(11-16)28-12-27-18/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM50439218 (CHEMBL2418809) Show SMILES CC1CCCN(C1C)C(=O)c1nc(Nc2cc3OCOc3cc2F)sc1Cl Show InChI InChI=1S/C18H19ClFN3O3S/c1-9-4-3-5-23(10(9)2)17(24)15-16(19)27-18(22-15)21-12-7-14-13(6-11(12)20)25-8-26-14/h6-7,9-10H,3-5,8H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439216 (CHEMBL2418812) Show SMILES C[C@@H]1CCCN([C@@H]1C)C(=O)c1nc(Nc2ccc(Cl)cc2F)sc1C |r| Show InChI InChI=1S/C18H21ClFN3OS/c1-10-5-4-8-23(11(10)2)17(24)16-12(3)25-18(22-16)21-15-7-6-13(19)9-14(15)20/h6-7,9-11H,4-5,8H2,1-3H3,(H,21,22)/t10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439214 (CHEMBL2418814) Show SMILES CC1N(CCc2ccccc12)C(=O)c1csc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C21H19N3O3S/c1-13-16-5-3-2-4-14(16)8-9-24(13)20(25)17-11-28-21(23-17)22-15-6-7-18-19(10-15)27-12-26-18/h2-7,10-11,13H,8-9,12H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM50439220 (CHEMBL2418807) Show SMILES CC1CCCN(C1C)C(=O)c1csc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C18H21N3O3S/c1-11-4-3-7-21(12(11)2)17(22)14-9-25-18(20-14)19-13-5-6-15-16(8-13)24-10-23-15/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439221 (CHEMBL2418806) Show SMILES CC1CCCN(C1C)C(=O)c1csc(Nc2ccc(C)cc2)n1 Show InChI InChI=1S/C18H23N3OS/c1-12-6-8-15(9-7-12)19-18-20-16(11-23-18)17(22)21-10-4-5-13(2)14(21)3/h6-9,11,13-14H,4-5,10H2,1-3H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM50439217 (CHEMBL2418811) Show SMILES C[C@H]1CCCN([C@H]1C)C(=O)c1nc(Nc2ccc(Cl)cc2F)sc1C |r| Show InChI InChI=1S/C18H21ClFN3OS/c1-10-5-4-8-23(11(10)2)17(24)16-12(3)25-18(22-16)21-15-7-6-13(19)9-14(15)20/h6-7,9-11H,4-5,8H2,1-3H3,(H,21,22)/t10-,11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50311424 (7-((3',4'-difluorobiphenyl-4-ylsulfonyl)methyl)-2,...) Show SMILES Fc1ccc(cc1F)-c1ccc(cc1)S(=O)(=O)Cc1ccc2CCNCCc2c1 Show InChI InChI=1S/C23H21F2NO2S/c24-22-8-5-19(14-23(22)25)17-3-6-21(7-4-17)29(27,28)15-16-1-2-18-9-11-26-12-10-20(18)13-16/h1-8,13-14,26H,9-12,15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				Bioorg Med Chem Lett 19: 6452-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439215 (CHEMBL2418813) Show SMILES O=C(N1CCc2ccccc2C1)c1csc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C20H17N3O3S/c24-19(23-8-7-13-3-1-2-4-14(13)10-23)16-11-27-20(22-16)21-15-5-6-17-18(9-15)26-12-25-17/h1-6,9,11H,7-8,10,12H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439227 (CHEMBL2418823) Show SMILES CC1CCN(CC1)C(=O)c1csc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C17H19N3O3S/c1-11-4-6-20(7-5-11)16(21)13-9-24-17(19-13)18-12-2-3-14-15(8-12)23-10-22-14/h2-3,8-9,11H,4-7,10H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM50439219 (CHEMBL2418808) Show SMILES CC1CCCN(C1C)C(=O)c1nc(Nc2cc3OCOc3cc2F)sc1C Show InChI InChI=1S/C19H22FN3O3S/c1-10-5-4-6-23(11(10)2)18(24)17-12(3)27-19(22-17)21-14-8-16-15(7-13(14)20)25-9-26-16/h7-8,10-11H,4-6,9H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50311425 (7-((4'-fluorobiphenyl-4-ylsulfonyl)methyl)-2,3,4,5...) Show SMILES Fc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)Cc1ccc2CCNCCc2c1 Show InChI InChI=1S/C23H22FNO2S/c24-22-7-3-18(4-8-22)19-5-9-23(10-6-19)28(26,27)16-17-1-2-20-11-13-25-14-12-21(20)15-17/h1-10,15,25H,11-14,16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				Bioorg Med Chem Lett 19: 6452-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50311413 (CHEMBL1078595 | N-(3-((1H-pyrazol-3-yl)methyl)-2,3...) Show SMILES O=S(=O)(Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1)c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C23H28N6O3S/c30-33(31,22-3-4-23(24-16-22)29-11-13-32-14-12-29)27-20-2-1-18-6-9-28(10-7-19(18)15-20)17-21-5-8-25-26-21/h1-5,8,15-16,27H,6-7,9-14,17H2,(H,25,26)	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	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9				Bioorg Med Chem Lett 19: 6452-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50311414 (CHEMBL1078492 | N-(3-((1H-pyrazol-3-yl)methyl)-2,3...) Show SMILES O=S(=O)(Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C23H23N5O2S2/c29-32(30,23-7-6-22(31-23)21-3-1-2-11-24-21)27-19-5-4-17-9-13-28(14-10-18(17)15-19)16-20-8-12-25-26-20/h1-8,11-12,15,27H,9-10,13-14,16H2,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				Bioorg Med Chem Lett 19: 6452-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM50439221 (CHEMBL2418806) Show SMILES CC1CCCN(C1C)C(=O)c1csc(Nc2ccc(C)cc2)n1 Show InChI InChI=1S/C18H23N3OS/c1-12-6-8-15(9-7-12)19-18-20-16(11-23-18)17(22)21-10-4-5-13(2)14(21)3/h6-9,11,13-14H,4-5,10H2,1-3H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM50439216 (CHEMBL2418812) Show SMILES C[C@@H]1CCCN([C@@H]1C)C(=O)c1nc(Nc2ccc(Cl)cc2F)sc1C |r| Show InChI InChI=1S/C18H21ClFN3OS/c1-10-5-4-8-23(11(10)2)17(24)16-12(3)25-18(22-16)21-15-7-6-13(19)9-14(15)20/h6-7,9-11H,4-5,8H2,1-3H3,(H,21,22)/t10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50311419 (CHEMBL1078464 | N-(4-fluorophenyl)-5-((2,3,4,5-tet...) Show SMILES Fc1ccc(Nc2ccc(cn2)S(=O)(=O)Cc2ccc3CCNCCc3c2)cc1 Show InChI InChI=1S/C22H22FN3O2S/c23-19-3-5-20(6-4-19)26-22-8-7-21(14-25-22)29(27,28)15-16-1-2-17-9-11-24-12-10-18(17)13-16/h1-8,13-14,24H,9-12,15H2,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				Bioorg Med Chem Lett 19: 6452-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM50439213 (CHEMBL2418815) Show SMILES CC1N(CCc2ccccc12)C(=O)c1nc(Nc2ccc3OCOc3c2)sc1C Show InChI InChI=1S/C22H21N3O3S/c1-13-17-6-4-3-5-15(17)9-10-25(13)21(26)20-14(2)29-22(24-20)23-16-7-8-18-19(11-16)28-12-27-18/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM50439214 (CHEMBL2418814) Show SMILES CC1N(CCc2ccccc12)C(=O)c1csc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C21H19N3O3S/c1-13-16-5-3-2-4-14(16)8-9-24(13)20(25)17-11-28-21(23-17)22-15-6-7-18-19(10-15)27-12-26-18/h2-7,10-11,13H,8-9,12H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50311414 (CHEMBL1078492 | N-(3-((1H-pyrazol-3-yl)methyl)-2,3...) Show SMILES O=S(=O)(Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C23H23N5O2S2/c29-32(30,23-7-6-22(31-23)21-3-1-2-11-24-21)27-19-5-4-17-9-13-28(14-10-18(17)15-19)16-20-8-12-25-26-20/h1-8,11-12,15,27H,9-10,13-14,16H2,(H,25,26)	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	400	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9				Bioorg Med Chem Lett 19: 6452-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM50439227 (CHEMBL2418823) Show SMILES CC1CCN(CC1)C(=O)c1csc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C17H19N3O3S/c1-11-4-6-20(7-5-11)16(21)13-9-24-17(19-13)18-12-2-3-14-15(8-12)23-10-22-14/h2-3,8-9,11H,4-7,10H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439232 (CHEMBL2418818) Show SMILES CC1CCN(CC1)C(=O)c1csc(Nc2ccc(C)cc2)n1 Show InChI InChI=1S/C17H21N3OS/c1-12-3-5-14(6-4-12)18-17-19-15(11-22-17)16(21)20-9-7-13(2)8-10-20/h3-6,11,13H,7-10H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM43434 (3,4-dihydro-1H-isoquinolin-2-yl-[2-(4-methoxyanili...) Show SMILES COc1ccc(Nc2nc(cs2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C20H19N3O2S/c1-25-17-8-6-16(7-9-17)21-20-22-18(13-26-20)19(24)23-11-10-14-4-2-3-5-15(14)12-23/h2-9,13H,10-12H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50311415 (CHEMBL1078490 | N-(3-((1H-pyrazol-3-yl)methyl)-2,3...) Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1 Show InChI InChI=1S/C25H30N4O3S/c1-25(2)11-7-20-16-23(5-6-24(20)32-25)33(30,31)28-21-4-3-18-9-13-29(14-10-19(18)15-21)17-22-8-12-26-27-22/h3-6,8,12,15-16,28H,7,9-11,13-14,17H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				Bioorg Med Chem Lett 19: 6452-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM50439215 (CHEMBL2418813) Show SMILES O=C(N1CCc2ccccc2C1)c1csc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C20H17N3O3S/c24-19(23-8-7-13-3-1-2-4-14(13)10-23)16-11-27-20(22-16)21-15-5-6-17-18(9-15)26-12-25-17/h1-6,9,11H,7-8,10,12H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50311412 (CHEMBL1080046 | N-(3-((1H-pyrazol-3-yl)methyl)-2,3...) Show SMILES CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1 Show InChI InChI=1S/C24H30N4O2S/c1-2-3-4-19-5-9-24(10-6-19)31(29,30)27-22-8-7-20-12-15-28(16-13-21(20)17-22)18-23-11-14-25-26-23/h5-11,14,17,27H,2-4,12-13,15-16,18H2,1H3,(H,25,26)	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	600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9				Bioorg Med Chem Lett 19: 6452-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50311423 (7-((6-(4-fluorophenyl)pyridin-3-ylsulfonyl)methyl)...) Show SMILES Fc1ccc(cc1)-c1ccc(cn1)S(=O)(=O)Cc1ccc2CCNCCc2c1 Show InChI InChI=1S/C22H21FN2O2S/c23-20-5-3-18(4-6-20)22-8-7-21(14-25-22)28(26,27)15-16-1-2-17-9-11-24-12-10-19(17)13-16/h1-8,13-14,24H,9-12,15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				Bioorg Med Chem Lett 19: 6452-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM50439232 (CHEMBL2418818) Show SMILES CC1CCN(CC1)C(=O)c1csc(Nc2ccc(C)cc2)n1 Show InChI InChI=1S/C17H21N3OS/c1-12-3-5-14(6-4-12)18-17-19-15(11-22-17)16(21)20-9-7-13(2)8-10-20/h3-6,11,13H,7-10H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439228 (CHEMBL2418822) Show SMILES CC1CCN(CC1)C(=O)c1csc(Nc2ccc(Cl)cc2F)n1 Show InChI InChI=1S/C16H17ClFN3OS/c1-10-4-6-21(7-5-10)15(22)14-9-23-16(20-14)19-13-3-2-11(17)8-12(13)18/h2-3,8-10H,4-7H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439226 (CHEMBL2418824) Show SMILES CC1CCCCN1C(=O)c1csc(Nc2ccc(C)cc2)n1 Show InChI InChI=1S/C17H21N3OS/c1-12-6-8-14(9-7-12)18-17-19-15(11-22-17)16(21)20-10-4-3-5-13(20)2/h6-9,11,13H,3-5,10H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM50439231 (CHEMBL2418819) Show SMILES CC1CCN(CC1)C(=O)c1csc(Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C16H18ClN3OS/c1-11-6-8-20(9-7-11)15(21)14-10-22-16(19-14)18-13-4-2-12(17)3-5-13/h2-5,10-11H,6-9H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM50439226 (CHEMBL2418824) Show SMILES CC1CCCCN1C(=O)c1csc(Nc2ccc(C)cc2)n1 Show InChI InChI=1S/C17H21N3OS/c1-12-6-8-14(9-7-12)18-17-19-15(11-22-17)16(21)20-10-4-3-5-13(20)2/h6-9,11,13H,3-5,10H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM50439230 (CHEMBL2418820) Show SMILES COc1ccc(Nc2nc(cs2)C(=O)N2CCC(C)CC2)cc1 Show InChI InChI=1S/C17H21N3O2S/c1-12-7-9-20(10-8-12)16(21)15-11-23-17(19-15)18-13-3-5-14(22-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50311412 (CHEMBL1080046 | N-(3-((1H-pyrazol-3-yl)methyl)-2,3...) Show SMILES CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1 Show InChI InChI=1S/C24H30N4O2S/c1-2-3-4-19-5-9-24(10-6-19)31(29,30)27-22-8-7-20-12-15-28(16-13-21(20)17-22)18-23-11-14-25-26-23/h5-11,14,17,27H,2-4,12-13,15-16,18H2,1H3,(H,25,26)	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	800	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using diethoxyfluorescein as substrate				Bioorg Med Chem Lett 19: 6452-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439231 (CHEMBL2418819) Show SMILES CC1CCN(CC1)C(=O)c1csc(Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C16H18ClN3OS/c1-11-6-8-20(9-7-11)15(21)14-10-22-16(19-14)18-13-4-2-12(17)3-5-13/h2-5,10-11H,6-9H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439230 (CHEMBL2418820) Show SMILES COc1ccc(Nc2nc(cs2)C(=O)N2CCC(C)CC2)cc1 Show InChI InChI=1S/C17H21N3O2S/c1-12-7-9-20(10-8-12)16(21)15-11-23-17(19-15)18-13-3-5-14(22-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM50439216 (CHEMBL2418812) Show SMILES C[C@@H]1CCCN([C@@H]1C)C(=O)c1nc(Nc2ccc(Cl)cc2F)sc1C |r| Show InChI InChI=1S/C18H21ClFN3OS/c1-10-5-4-8-23(11(10)2)17(24)16-12(3)25-18(22-16)21-15-7-6-13(19)9-14(15)20/h6-7,9-11H,4-5,8H2,1-3H3,(H,21,22)/t10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50311420 (7-((6-(piperidin-1-yl)pyridin-3-ylsulfonyl)methyl)...) Show SMILES O=S(=O)(Cc1ccc2CCNCCc2c1)c1ccc(nc1)N1CCCCC1 Show InChI InChI=1S/C21H27N3O2S/c25-27(26,16-17-4-5-18-8-10-22-11-9-19(18)14-17)20-6-7-21(23-15-20)24-12-2-1-3-13-24/h4-7,14-15,22H,1-3,8-13,16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				Bioorg Med Chem Lett 19: 6452-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50439221 (CHEMBL2418806) Show SMILES CC1CCCN(C1C)C(=O)c1csc(Nc2ccc(C)cc2)n1 Show InChI InChI=1S/C18H23N3OS/c1-12-6-8-15(9-7-12)19-18-20-16(11-23-18)17(22)21-10-4-5-13(2)14(21)3/h6-9,11,13-14H,4-5,10H2,1-3H3,(H,19,20)	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	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of TRPV1 (unknown origin) by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439212 (CHEMBL2418816) Show SMILES CC1N(CCc2ncccc12)C(=O)c1nc(Nc2ccc3OCOc3c2)sc1C Show InChI InChI=1S/C21H20N4O3S/c1-12-15-4-3-8-22-16(15)7-9-25(12)20(26)19-13(2)29-21(24-19)23-14-5-6-17-18(10-14)28-11-27-17/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM43434 (3,4-dihydro-1H-isoquinolin-2-yl-[2-(4-methoxyanili...) Show SMILES COc1ccc(Nc2nc(cs2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C20H19N3O2S/c1-25-17-8-6-16(7-9-17)21-20-22-18(13-26-20)19(24)23-11-10-14-4-2-3-5-15(14)12-23/h2-9,13H,10-12H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50311416 (CHEMBL1078208 | N-(3-((1H-pyrazol-3-yl)methyl)-2,3...) Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1 Show InChI InChI=1S/C23H28N4O3S/c1-17(2)30-22-5-7-23(8-6-22)31(28,29)26-20-4-3-18-10-13-27(14-11-19(18)15-20)16-21-9-12-24-25-21/h3-9,12,15,17,26H,10-11,13-14,16H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				Bioorg Med Chem Lett 19: 6452-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM50439228 (CHEMBL2418822) Show SMILES CC1CCN(CC1)C(=O)c1csc(Nc2ccc(Cl)cc2F)n1 Show InChI InChI=1S/C16H17ClFN3OS/c1-10-4-6-21(7-5-10)15(22)14-9-23-16(20-14)19-13-3-2-11(17)8-12(13)18/h2-3,8-10H,4-7H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50311421 (7-((6-isopropoxypyridin-3-ylsulfonyl)methyl)-2,3,4...) Show SMILES CC(C)Oc1ccc(cn1)S(=O)(=O)Cc1ccc2CCNCCc2c1 Show InChI InChI=1S/C19H24N2O3S/c1-14(2)24-19-6-5-18(12-21-19)25(22,23)13-15-3-4-16-7-9-20-10-8-17(16)11-15/h3-6,11-12,14,20H,7-10,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				Bioorg Med Chem Lett 19: 6452-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439216 (CHEMBL2418812) Show SMILES C[C@@H]1CCCN([C@@H]1C)C(=O)c1nc(Nc2ccc(Cl)cc2F)sc1C |r| Show InChI InChI=1S/C18H21ClFN3OS/c1-10-5-4-8-23(11(10)2)17(24)16-12(3)25-18(22-16)21-15-7-6-13(19)9-14(15)20/h6-7,9-11H,4-5,8H2,1-3H3,(H,21,22)/t10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439223 (CHEMBL2418804) Show SMILES COc1ccc(Nc2nc(cs2)C(=O)N2CCC(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C22H23N3O2S/c1-27-19-9-7-18(8-10-19)23-22-24-20(15-28-22)21(26)25-13-11-17(12-14-25)16-5-3-2-4-6-16/h2-10,15,17H,11-14H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair

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