Compile Data Set for Download or QSAR

Found 1046 hits with Last Name = 'stamm' and Initial = 's'   

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
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452245 (Act-709478) Show SMILES FC(F)(F)C1(CC1)c1ccc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)cc1 Show InChI InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Binding activity to inactivated state of recombinant human Cav3.3 expressed in CHO cells assessed as inhibition of tail current amplitude by whole ce...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452305 (CHEMBL4203847) Show SMILES Cn1ncc2cc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)ccc12 Show InChI InChI=1S/C20H17F2N5O/c1-26-18-5-3-13(8-15(18)11-23-26)10-20(28)24-19-6-7-27(25-19)12-14-2-4-16(21)17(22)9-14/h2-9,11H,10,12H2,1H3,(H,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452243 (CHEMBL4205005) Show SMILES CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cc1 Show InChI InChI=1S/C20H20F2N4O/c1-25(2)16-6-3-14(4-7-16)12-20(27)23-19-9-10-26(24-19)13-15-5-8-17(21)18(22)11-15/h3-11H,12-13H2,1-2H3,(H,23,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452246 (CHEMBL4216687) Show SMILES COc1c(F)cc(Cn2ccc(NC(=O)Cc3ccc(cc3)N(C)C)n2)cc1F Show InChI InChI=1S/C21H22F2N4O2/c1-26(2)16-6-4-14(5-7-16)12-20(28)24-19-8-9-27(25-19)13-15-10-17(22)21(29-3)18(23)11-15/h4-11H,12-13H2,1-3H3,(H,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50452242 (CHEMBL4206509) Show SMILES Fc1ccc(Cn2ccc(NC(=O)Cc3ccc(cc3)C3CC(F)(F)C3)n2)cc1F Show InChI InChI=1S/C22H19F4N3O/c23-18-6-3-15(9-19(18)24)13-29-8-7-20(28-29)27-21(30)10-14-1-4-16(5-2-14)17-11-22(25,26)12-17/h1-9,17H,10-13H2,(H,27,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.1 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452236 (CHEMBL4204507) Show SMILES CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(OC(F)(F)F)cc3)n2)cc1 Show InChI InChI=1S/C21H21F3N4O2/c1-27(2)17-7-3-15(4-8-17)13-20(29)25-19-11-12-28(26-19)14-16-5-9-18(10-6-16)30-21(22,23)24/h3-12H,13-14H2,1-2H3,(H,25,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452301 (CHEMBL4204077) Show SMILES CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)cc1 Show InChI InChI=1S/C20H21ClN4O/c1-24(2)18-9-5-15(6-10-18)13-20(26)22-19-11-12-25(23-19)14-16-3-7-17(21)8-4-16/h3-12H,13-14H2,1-2H3,(H,22,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50452301 (CHEMBL4204077) Show SMILES CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)cc1 Show InChI InChI=1S/C20H21ClN4O/c1-24(2)18-9-5-15(6-10-18)13-20(26)22-19-11-12-25(23-19)14-16-3-7-17(21)8-4-16/h3-12H,13-14H2,1-2H3,(H,22,23,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.1 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50452238 (CHEMBL4207291) Show SMILES CCc1cc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)ccc1OCC(F)(F)F Show InChI InChI=1S/C22H20F3N5O2/c1-2-17-9-15(4-6-19(17)32-14-22(23,24)25)10-21(31)28-20-7-8-30(29-20)13-18-5-3-16(11-26)12-27-18/h3-9,12H,2,10,13-14H2,1H3,(H,28,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.1 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50452323 (CHEMBL4214862) Show SMILES Fc1ccc(Cn2ccc(NC(=O)Cc3ccc(nc3)N3CCC(F)(F)C3)n2)cc1F Show InChI InChI=1S/C21H19F4N5O/c22-16-3-1-15(9-17(16)23)12-30-7-5-18(28-30)27-20(31)10-14-2-4-19(26-11-14)29-8-6-21(24,25)13-29/h1-5,7,9,11H,6,8,10,12-13H2,(H,27,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.1 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452289 (CHEMBL4215974) Show SMILES CC1(COC1)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cc1 Show InChI InChI=1S/C22H21F2N3O2/c1-22(13-29-14-22)17-5-2-15(3-6-17)11-21(28)25-20-8-9-27(26-20)12-16-4-7-18(23)19(24)10-16/h2-10H,11-14H2,1H3,(H,25,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50452233 (CHEMBL4203101) Show SMILES CN1C(=O)C(C)(C)c2cc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)ccc12 Show InChI InChI=1S/C23H22F2N4O2/c1-23(2)16-10-14(5-7-19(16)28(3)22(23)31)12-21(30)26-20-8-9-29(27-20)13-15-4-6-17(24)18(25)11-15/h4-11H,12-13H2,1-3H3,(H,26,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.1 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM241779 (US9409917, 104 | US9409917, 105 | US9409917, 76 | ...) Show SMILES Clc1cc2CCC(NC(=O)C3COc4ncccc34)c2c(Cl)c1 Show InChI InChI=1S/C17H14Cl2N2O2/c18-10-6-9-3-4-14(15(9)13(19)7-10)21-16(22)12-8-23-17-11(12)2-1-5-20-17/h1-2,5-7,12,14H,3-4,8H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...				US Patent US9409917 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VC8
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452288 (CHEMBL4208626) Show SMILES Fc1ccc(Cn2ccc(NC(=O)Cc3ccc(cc3)C3(F)COC3)n2)cc1F Show InChI InChI=1S/C21H18F3N3O2/c22-17-6-3-15(9-18(17)23)11-27-8-7-19(26-27)25-20(28)10-14-1-4-16(5-2-14)21(24)12-29-13-21/h1-9H,10-13H2,(H,25,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM241720 (US9409917, 17 | US9409917, 18) Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCOc2ncccc12 Show InChI InChI=1S/C17H16Cl2N2O2/c1-10-7-11(18)8-15(19)14(10)9-21-16(22)12-4-6-23-17-13(12)3-2-5-20-17/h2-3,5,7-8,12H,4,6,9H2,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...				US Patent US9409917 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VC8
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50452294 (CHEMBL4207031) Show SMILES CC(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cc1 Show InChI InChI=1S/C21H21F2N3O/c1-14(2)17-6-3-15(4-7-17)12-21(27)24-20-9-10-26(25-20)13-16-5-8-18(22)19(23)11-16/h3-11,14H,12-13H2,1-2H3,(H,24,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.1 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50452306 (CHEMBL4211105) Show SMILES Fc1ccc(Cn2ccc(NC(=O)Cc3ccc(OC4CC(F)(F)C4)cc3)n2)cc1F Show InChI InChI=1S/C22H19F4N3O2/c23-18-6-3-15(9-19(18)24)13-29-8-7-20(28-29)27-21(30)10-14-1-4-16(5-2-14)31-17-11-22(25,26)12-17/h1-9,17H,10-13H2,(H,27,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.1 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM237018 (US9388197, 20) Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCc2ncsc12 Show InChI InChI=1S/C15H14Cl2N2OS/c1-8-4-9(16)5-12(17)11(8)6-18-15(20)10-2-3-13-14(10)21-7-19-13/h4-5,7,10H,2-3,6H2,1H3,(H,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...				US Patent US9388197 (2016) BindingDB Entry DOI: 10.7270/Q2FF3R8Z
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM372452 (N-[2-(3,4-Difluoro-benzyl)-2H-[1,2,3]triazol-4-yl]...) Show SMILES Cn1ncc2cc(CC(=O)Nc3cnn(Cc4ccc(F)c(F)c4)n3)ccc12 Show InChI InChI=1S/C19H16F2N6O/c1-26-17-5-3-12(6-14(17)9-22-26)8-19(28)24-18-10-23-27(25-18)11-13-2-4-15(20)16(21)7-13/h2-7,9-10H,8,11H2,1H3,(H,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM241725 (US9409917, 22) Show SMILES CCc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncccc12 Show InChI InChI=1S/C17H16Cl2N2O2/c1-2-10-6-11(18)7-15(19)13(10)8-21-16(22)14-9-23-17-12(14)4-3-5-20-17/h3-7,14H,2,8-9H2,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...				US Patent US9409917 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VC8
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50452243 (CHEMBL4205005) Show SMILES CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cc1 Show InChI InChI=1S/C20H20F2N4O/c1-25(2)16-6-3-14(4-7-16)12-20(27)23-19-9-10-26(24-19)13-15-5-8-17(21)18(22)11-15/h3-11H,12-13H2,1-2H3,(H,23,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.1 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452257 (CHEMBL4205399) Show SMILES CC(C)c1ccc(CC(=O)Nc2ccn(CC3CCC(F)(F)CO3)n2)cc1 Show InChI InChI=1S/C20H25F2N3O2/c1-14(2)16-5-3-15(4-6-16)11-19(26)23-18-8-10-25(24-18)12-17-7-9-20(21,22)13-27-17/h3-6,8,10,14,17H,7,9,11-13H2,1-2H3,(H,23,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM241720 (US9409917, 17 | US9409917, 18) Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCOc2ncccc12 Show InChI InChI=1S/C17H16Cl2N2O2/c1-10-7-11(18)8-15(19)14(10)9-21-16(22)12-4-6-23-17-13(12)3-2-5-20-17/h2-3,5,7-8,12H,4,6,9H2,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...				US Patent US9409917 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VC8
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452257 (CHEMBL4205399) Show SMILES CC(C)c1ccc(CC(=O)Nc2ccn(CC3CCC(F)(F)CO3)n2)cc1 Show InChI InChI=1S/C20H25F2N3O2/c1-14(2)16-5-3-15(4-6-16)11-19(26)23-18-8-10-25(24-18)12-17-7-9-20(21,22)13-27-17/h3-6,8,10,14,17H,7,9,11-13H2,1-2H3,(H,23,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM237032 (US9388197, 34) Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCOc2ncsc12 Show InChI InChI=1S/C15H14Cl2N2O2S/c1-8-4-9(16)5-12(17)11(8)6-18-14(20)10-2-3-21-15-13(10)22-7-19-15/h4-5,7,10H,2-3,6H2,1H3,(H,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...				US Patent US9388197 (2016) BindingDB Entry DOI: 10.7270/Q2FF3R8Z
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452229 (CHEMBL4209376) Show SMILES CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(OC(F)F)cc3)n2)cc1 Show InChI InChI=1S/C21H22F2N4O2/c1-26(2)17-7-3-15(4-8-17)13-20(28)24-19-11-12-27(25-19)14-16-5-9-18(10-6-16)29-21(22)23/h3-12,21H,13-14H2,1-2H3,(H,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452258 (CHEMBL4208907) Show SMILES Cc1cc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)ccc1OCC(F)(F)F Show InChI InChI=1S/C21H18F3N5O2/c1-14-8-15(3-5-18(14)31-13-21(22,23)24)9-20(30)27-19-6-7-29(28-19)12-17-4-2-16(10-25)11-26-17/h2-8,11H,9,12-13H2,1H3,(H,27,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM237039 (US9388197, 41) Show SMILES Clc1cc2CCC(NC(=O)C3CCOc4ncsc34)c2c(Cl)c1 Show InChI InChI=1S/C16H14Cl2N2O2S/c17-9-5-8-1-2-12(13(8)11(18)6-9)20-15(21)10-3-4-22-16-14(10)23-7-19-16/h5-7,10,12H,1-4H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...				US Patent US9388197 (2016) BindingDB Entry DOI: 10.7270/Q2FF3R8Z
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452225 (CHEMBL4203748) Show SMILES CC1(C)OCC(O1)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cc1 Show InChI InChI=1S/C23H23F2N3O3/c1-23(2)30-14-20(31-23)17-6-3-15(4-7-17)12-22(29)26-21-9-10-28(27-21)13-16-5-8-18(24)19(25)11-16/h3-11,20H,12-14H2,1-2H3,(H,26,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452233 (CHEMBL4203101) Show SMILES CN1C(=O)C(C)(C)c2cc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)ccc12 Show InChI InChI=1S/C23H22F2N4O2/c1-23(2)16-10-14(5-7-19(16)28(3)22(23)31)12-21(30)26-20-8-9-29(27-20)13-15-4-6-17(24)18(25)11-15/h4-11H,12-13H2,1-3H3,(H,26,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452294 (CHEMBL4207031) Show SMILES CC(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cc1 Show InChI InChI=1S/C21H21F2N3O/c1-14(2)17-6-3-15(4-7-17)12-21(27)24-20-9-10-26(25-20)13-16-5-8-18(22)19(23)11-16/h3-11,14H,12-13H2,1-2H3,(H,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM241706 (US9409917, 3 | US9409917, 4 | US9409917, 96 | US94...) Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncccc12 Show InChI InChI=1S/C16H14Cl2N2O2/c1-9-5-10(17)6-14(18)12(9)7-20-15(21)13-8-22-16-11(13)3-2-4-19-16/h2-6,13H,7-8H2,1H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...				US Patent US9409917 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VC8
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Rattus norvegicus)	BDBM50452245 (Act-709478) Show SMILES FC(F)(F)C1(CC1)c1ccc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)cc1 Show InChI InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Cav3.3 in rat assessed as decrease in calcium flux preincubated for 3 mins followed by CaCl2 addition by Fluo-4-AM dye-based FLIPR assa...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452242 (CHEMBL4206509) Show SMILES Fc1ccc(Cn2ccc(NC(=O)Cc3ccc(cc3)C3CC(F)(F)C3)n2)cc1F Show InChI InChI=1S/C22H19F4N3O/c23-18-6-3-15(9-19(18)24)13-29-8-7-20(28-29)27-21(30)10-14-1-4-16(5-2-14)17-11-22(25,26)12-17/h1-9,17H,10-13H2,(H,27,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452269 (CHEMBL4213335) Show SMILES CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(C)cc3)n2)cc1 Show InChI InChI=1S/C21H24N4O/c1-16-4-6-18(7-5-16)15-25-13-12-20(23-25)22-21(26)14-17-8-10-19(11-9-17)24(2)3/h4-13H,14-15H2,1-3H3,(H,22,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452234 (CHEMBL4218161) Show SMILES CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(C#N)c(F)c3)n2)cc1 Show InChI InChI=1S/C21H20FN5O/c1-26(2)18-7-4-15(5-8-18)12-21(28)24-20-9-10-27(25-20)14-16-3-6-17(13-23)19(22)11-16/h3-11H,12,14H2,1-2H3,(H,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50452256 (CHEMBL4212039) Show SMILES Fc1ccc(Cn2ccc(NC(=O)Cc3ccc4cc[nH]c4c3)n2)cc1F Show InChI InChI=1S/C20H16F2N4O/c21-16-4-2-14(9-17(16)22)12-26-8-6-19(25-26)24-20(27)11-13-1-3-15-5-7-23-18(15)10-13/h1-10,23H,11-12H2,(H,24,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.1 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM237060 (US9388197, 62) Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCCc2ncsc12 Show InChI InChI=1S/C16H16Cl2N2OS/c1-9-5-10(17)6-13(18)12(9)7-19-16(21)11-3-2-4-14-15(11)22-8-20-14/h5-6,8,11H,2-4,7H2,1H3,(H,19,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...				US Patent US9388197 (2016) BindingDB Entry DOI: 10.7270/Q2FF3R8Z
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452256 (CHEMBL4212039) Show SMILES Fc1ccc(Cn2ccc(NC(=O)Cc3ccc4cc[nH]c4c3)n2)cc1F Show InChI InChI=1S/C20H16F2N4O/c21-16-4-2-14(9-17(16)22)12-26-8-6-19(25-26)24-20(27)11-13-1-3-15-5-7-23-18(15)10-13/h1-10,23H,11-12H2,(H,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452325 (CHEMBL4208950) Show SMILES CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1 Show InChI InChI=1S/C20H21FN4O/c1-24(2)18-9-5-15(6-10-18)13-20(26)22-19-11-12-25(23-19)14-16-3-7-17(21)8-4-16/h3-12H,13-14H2,1-2H3,(H,22,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452280 (CHEMBL4212176) Show SMILES Cc1cc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)ccc1OC(F)(F)F Show InChI InChI=1S/C20H16F3N5O2/c1-13-8-14(3-5-17(13)30-20(21,22)23)9-19(29)26-18-6-7-28(27-18)12-16-4-2-15(10-24)11-25-16/h2-8,11H,9,12H2,1H3,(H,26,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452290 (CHEMBL4207159) Show SMILES Fc1ccc(Cn2ccc(NC(=O)Cc3ccc4[nH]ccc4c3)n2)cc1F Show InChI InChI=1S/C20H16F2N4O/c21-16-3-1-14(10-17(16)22)12-26-8-6-19(25-26)24-20(27)11-13-2-4-18-15(9-13)5-7-23-18/h1-10,23H,11-12H2,(H,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM199025 (BDBM199037 | BDBM199038 | US9221832, 89) Show SMILES Cc1cc(Cl)cc(Cl)c1CC(=O)NC1COc2cnccc12 Show InChI InChI=1S/C16H14Cl2N2O2/c1-9-4-10(17)5-13(18)12(9)6-16(21)20-14-8-22-15-7-19-3-2-11(14)15/h2-5,7,14H,6,8H2,1H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...				US Patent US9221832 (2015) BindingDB Entry DOI: 10.7270/Q2C53JPG
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50452257 (CHEMBL4205399) Show SMILES CC(C)c1ccc(CC(=O)Nc2ccn(CC3CCC(F)(F)CO3)n2)cc1 Show InChI InChI=1S/C20H25F2N3O2/c1-14(2)16-5-3-15(4-6-16)11-19(26)23-18-8-10-25(24-18)12-17-7-9-20(21,22)13-27-17/h3-6,8,10,14,17H,7,9,11-13H2,1-2H3,(H,23,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.1 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50452257 (CHEMBL4205399) Show SMILES CC(C)c1ccc(CC(=O)Nc2ccn(CC3CCC(F)(F)CO3)n2)cc1 Show InChI InChI=1S/C20H25F2N3O2/c1-14(2)16-5-3-15(4-6-16)11-19(26)23-18-8-10-25(24-18)12-17-7-9-20(21,22)13-27-17/h3-6,8,10,14,17H,7,9,11-13H2,1-2H3,(H,23,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.1 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50452236 (CHEMBL4204507) Show SMILES CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(OC(F)(F)F)cc3)n2)cc1 Show InChI InChI=1S/C21H21F3N4O2/c1-27(2)17-7-3-15(4-8-17)13-20(29)25-19-11-12-28(26-19)14-16-5-9-18(10-6-16)30-21(22,23)24/h3-12H,13-14H2,1-2H3,(H,25,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.1 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50452258 (CHEMBL4208907) Show SMILES Cc1cc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)ccc1OCC(F)(F)F Show InChI InChI=1S/C21H18F3N5O2/c1-14-8-15(3-5-18(14)31-13-21(22,23)24)9-20(30)27-19-6-7-29(28-19)12-17-4-2-16(10-25)11-26-17/h2-8,11H,9,12-13H2,1H3,(H,27,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.1 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452323 (CHEMBL4214862) Show SMILES Fc1ccc(Cn2ccc(NC(=O)Cc3ccc(nc3)N3CCC(F)(F)C3)n2)cc1F Show InChI InChI=1S/C21H19F4N5O/c22-16-3-1-15(9-17(16)23)12-30-7-5-18(28-30)27-20(31)10-14-2-4-19(26-11-14)29-8-6-21(24,25)13-29/h1-5,7,9,11H,6,8,10,12-13H2,(H,27,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50452290 (CHEMBL4207159) Show SMILES Fc1ccc(Cn2ccc(NC(=O)Cc3ccc4[nH]ccc4c3)n2)cc1F Show InChI InChI=1S/C20H16F2N4O/c21-16-3-1-14(10-17(16)22)12-26-8-6-19(25-26)24-20(27)11-13-2-4-18-15(9-13)5-7-23-18/h1-10,23H,11-12H2,(H,24,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.1 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50452280 (CHEMBL4212176) Show SMILES Cc1cc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)ccc1OC(F)(F)F Show InChI InChI=1S/C20H16F3N5O2/c1-13-8-14(3-5-17(13)30-20(21,22)23)9-19(29)26-18-6-7-28(27-18)12-16-4-2-15(10-24)11-25-16/h2-8,11H,9,12H2,1H3,(H,26,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.1 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair

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