Compile Data Set for Download or QSAR

Found 744 hits with Last Name = 'payne' and Initial = 'c'   

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
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50403547 (ATROPEN | ATROPINE) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibition of carbachol-induced release of alpha-amylase from pancreatic acinar cells from that of rat ileum contained the M2 receptor subtypes				J Med Chem 32: 1522-8 (1989) BindingDB Entry DOI: 10.7270/Q2VQ3374
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50005685 (2,2-Diphenyl-propionic acid 2-diethylamino-ethyl e...) Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H27NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibition of carbachol-induced release of alpha-amylase from pancreatic acinar cells from that of rat ileum contained the M2 receptor subtypes				J Med Chem 32: 1522-8 (1989) BindingDB Entry DOI: 10.7270/Q2VQ3374
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018230 (2-(4-Methylcarbamoyloxy-phenyl)-2-phenyl-propionic...) Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)NC)cc1 Show InChI InChI=1S/C23H30N2O4/c1-5-25(6-2)16-17-28-21(26)23(3,18-10-8-7-9-11-18)19-12-14-20(15-13-19)29-22(27)24-4/h7-15H,5-6,16-17H2,1-4H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Binding affinity was determined from the inhibition of contraction of guinea pig ileum which has Muscarinic acetylcholine receptor M2 subtype.				J Med Chem 32: 1522-8 (1989) BindingDB Entry DOI: 10.7270/Q2VQ3374
					More data for this Ligand-Target Pair
Muscarinic receptor M1 (Bos taurus)	BDBM50403547 (ATROPEN | ATROPINE) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibition of [3H]NMS binding to cerebral cortex membranes which contain predominantly the Muscarinic acetylcholine receptor M1 subtypes				J Med Chem 32: 1522-8 (1989) BindingDB Entry DOI: 10.7270/Q2VQ3374
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018229 (2-(4-Hydroxy-phenyl)-2-phenyl-propionic acid 2-die...) Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1 Show InChI InChI=1S/C21H27NO3/c1-4-22(5-2)15-16-25-20(24)21(3,17-9-7-6-8-10-17)18-11-13-19(23)14-12-18/h6-14,23H,4-5,15-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibition of carbachol-induced release of alpha-amylase from pancreatic acinar cells from that of rat ileum contained the M2 receptor subtypes				J Med Chem 32: 1522-8 (1989) BindingDB Entry DOI: 10.7270/Q2VQ3374
					More data for this Ligand-Target Pair
Muscarinic receptor M1 (Bos taurus)	BDBM50018230 (2-(4-Methylcarbamoyloxy-phenyl)-2-phenyl-propionic...) Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)NC)cc1 Show InChI InChI=1S/C23H30N2O4/c1-5-25(6-2)16-17-28-21(26)23(3,18-10-8-7-9-11-18)19-12-14-20(15-13-19)29-22(27)24-4/h7-15H,5-6,16-17H2,1-4H3,(H,24,27)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibition of [3H]NMS binding to cerebral cortex membranes which contain predominantly the Muscarinic acetylcholine receptor M1 subtypes				J Med Chem 32: 1522-8 (1989) BindingDB Entry DOI: 10.7270/Q2VQ3374
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018225 (2-(4-Dimethylcarbamoyloxy-phenyl)-2-phenyl-propion...) Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)N(C)C)cc1 Show InChI InChI=1S/C24H32N2O4/c1-6-26(7-2)17-18-29-22(27)24(3,19-11-9-8-10-12-19)20-13-15-21(16-14-20)30-23(28)25(4)5/h8-16H,6-7,17-18H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Binding affinity was determined from the inhibition of contraction of guinea pig ileum which has Muscarinic acetylcholine receptor M2 subtype.				J Med Chem 32: 1522-8 (1989) BindingDB Entry DOI: 10.7270/Q2VQ3374
					More data for this Ligand-Target Pair
Muscarinic receptor M1 (Bos taurus)	BDBM50005685 (2,2-Diphenyl-propionic acid 2-diethylamino-ethyl e...) Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H27NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibition of [3H]NMS binding to cerebral cortex membranes which contain predominantly the Muscarinic acetylcholine receptor M1 subtypes				J Med Chem 32: 1522-8 (1989) BindingDB Entry DOI: 10.7270/Q2VQ3374
					More data for this Ligand-Target Pair
High affinity choline transporter 1 (Homo sapiens (Human))	BDBM50451447 (CHEMBL4217988) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]hemicholinium-3 from recombinant human choline transporter after 60 mins by scintillation counting method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Muscarinic receptor M1 (Bos taurus)	BDBM50018229 (2-(4-Hydroxy-phenyl)-2-phenyl-propionic acid 2-die...) Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1 Show InChI InChI=1S/C21H27NO3/c1-4-22(5-2)15-16-25-20(24)21(3,17-9-7-6-8-10-17)18-11-13-19(23)14-12-18/h6-14,23H,4-5,15-16H2,1-3H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibition of [3H]NMS binding to cerebral cortex membranes which contain predominantly the Muscarinic acetylcholine receptor M1 subtypes				J Med Chem 32: 1522-8 (1989) BindingDB Entry DOI: 10.7270/Q2VQ3374
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM39341 (11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...) Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibition of carbachol-induced release of alpha-amylase from pancreatic acinar cells from that of rat ileum contained the muscarinic acetylcholine r...				J Med Chem 32: 1522-8 (1989) BindingDB Entry DOI: 10.7270/Q2VQ3374
					More data for this Ligand-Target Pair
Muscarinic receptor M1 (Bos taurus)	BDBM50018225 (2-(4-Dimethylcarbamoyloxy-phenyl)-2-phenyl-propion...) Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)N(C)C)cc1 Show InChI InChI=1S/C24H32N2O4/c1-6-26(7-2)17-18-29-22(27)24(3,19-11-9-8-10-12-19)20-13-15-21(16-14-20)30-23(28)25(4)5/h8-16H,6-7,17-18H2,1-5H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibition of [3H]NMS binding to cerebral cortex membranes which contain predominantly the Muscarinic acetylcholine receptor M1 subtypes				J Med Chem 32: 1522-8 (1989) BindingDB Entry DOI: 10.7270/Q2VQ3374
					More data for this Ligand-Target Pair
Muscarinic receptor M1 (Bos taurus)	BDBM39341 (11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...) Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibition of [3H]NMS binding to cerebral cortex membranes which contain predominantly the muscarinic acetylcholine receptor M1				J Med Chem 32: 1522-8 (1989) BindingDB Entry DOI: 10.7270/Q2VQ3374
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50018226 (2-(4-Dimethylcarbamoyloxy-phenyl)-2-(4-hydroxy-phe...) Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(OC(=O)N(C)C)cc1 Show InChI InChI=1S/C24H32N2O5/c1-6-26(7-2)16-17-30-22(28)24(3,18-8-12-20(27)13-9-18)19-10-14-21(15-11-19)31-23(29)25(4)5/h8-15,27H,6-7,16-17H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibition of anticholinesterase activity by their ability to inactivate human serum butyrylcholinesterase				J Med Chem 32: 1522-8 (1989) BindingDB Entry DOI: 10.7270/Q2VQ3374
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50451447 (CHEMBL4217988) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]Dofetilide from recombinant human ERG after 60 mins by scintillation counting method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5485 (6-(cyclohexylmethoxy)-9H-purin-2-amine | CHEMBL269...) Show SMILES Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1 Show InChI InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of CDK2				J Med Chem 49: 5141-53 (2006) Article DOI: 10.1021/jm060190+ BindingDB Entry DOI: 10.7270/Q27S7NDM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50018225 (2-(4-Dimethylcarbamoyloxy-phenyl)-2-phenyl-propion...) Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)N(C)C)cc1 Show InChI InChI=1S/C24H32N2O4/c1-6-26(7-2)17-18-29-22(27)24(3,19-11-9-8-10-12-19)20-13-15-21(16-14-20)30-23(28)25(4)5/h8-16H,6-7,17-18H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibition of anticholinesterase activity by their ability to inactivate human serum butyrylcholinesterase				J Med Chem 32: 1522-8 (1989) BindingDB Entry DOI: 10.7270/Q2VQ3374
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50018230 (2-(4-Methylcarbamoyloxy-phenyl)-2-phenyl-propionic...) Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)NC)cc1 Show InChI InChI=1S/C23H30N2O4/c1-5-25(6-2)16-17-28-21(26)23(3,18-10-8-7-9-11-18)19-12-14-20(15-13-19)29-22(27)24-4/h7-15H,5-6,16-17H2,1-4H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Anticholinesterase activity by their ability to inactivate human serum butyrylcholinesterase				J Med Chem 32: 1522-8 (1989) BindingDB Entry DOI: 10.7270/Q2VQ3374
					More data for this Ligand-Target Pair
Muscarinic receptor M1 (Bos taurus)	BDBM50018227 (2,2-Bis-(4-hydroxy-phenyl)-propionic acid 2-diethy...) Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C21H27NO4/c1-4-22(5-2)14-15-26-20(25)21(3,16-6-10-18(23)11-7-16)17-8-12-19(24)13-9-17/h6-13,23-24H,4-5,14-15H2,1-3H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibition of [3H]NMS binding to cerebral cortex membranes which contain predominantly the Muscarinic acetylcholine receptor M1 subtypes				J Med Chem 32: 1522-8 (1989) BindingDB Entry DOI: 10.7270/Q2VQ3374
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50451447 (CHEMBL4217988) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]BTCP from recombinant human dopamine transporter after 120 mins by scintillation counting method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5594 (2-arylamino-pyrimidine deriv. 9d | 4-{[4-amino-6-(...) Show SMILES NC(=O)c1ccc(Nc2nc(N)c(N=O)c(OCC3CCCCC3)n2)cc1 Show InChI InChI=1S/C18H22N6O3/c19-15-14(24-26)17(27-10-11-4-2-1-3-5-11)23-18(22-15)21-13-8-6-12(7-9-13)16(20)25/h6-9,11H,1-5,10H2,(H2,20,25)(H3,19,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of CDK2				J Med Chem 49: 5141-53 (2006) Article DOI: 10.1021/jm060190+ BindingDB Entry DOI: 10.7270/Q27S7NDM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018226 (2-(4-Dimethylcarbamoyloxy-phenyl)-2-(4-hydroxy-phe...) Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(OC(=O)N(C)C)cc1 Show InChI InChI=1S/C24H32N2O5/c1-6-26(7-2)16-17-30-22(28)24(3,18-8-12-20(27)13-9-18)19-10-14-21(15-11-19)31-23(29)25(4)5/h8-15,27H,6-7,16-17H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibition of carbachol-induced release of alpha-amylase from pancreatic acinar cells from that of rat ileum contained the M2 receptor subtypes				J Med Chem 32: 1522-8 (1989) BindingDB Entry DOI: 10.7270/Q2VQ3374
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50451447 (CHEMBL4217988) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from recombinant human norepinephrine transporter after 120 min by scintillation counting method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Muscarinic receptor M1 (Bos taurus)	BDBM50018226 (2-(4-Dimethylcarbamoyloxy-phenyl)-2-(4-hydroxy-phe...) Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(OC(=O)N(C)C)cc1 Show InChI InChI=1S/C24H32N2O5/c1-6-26(7-2)16-17-30-22(28)24(3,18-8-12-20(27)13-9-18)19-10-14-21(15-11-19)31-23(29)25(4)5/h8-15,27H,6-7,16-17H2,1-5H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibition of [3H]NMS binding to cerebral cortex membranes which contain predominantly the Muscarinic acetylcholine receptor M1 subtypes				J Med Chem 32: 1522-8 (1989) BindingDB Entry DOI: 10.7270/Q2VQ3374
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1 Show InChI InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibition of anticholinesterase activity by their ability to inactivate human serum butyrylcholinesterase				J Med Chem 32: 1522-8 (1989) BindingDB Entry DOI: 10.7270/Q2VQ3374
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50018228 (2,2-Bis-(4-dimethylcarbamoyloxy-phenyl)-propionic ...) Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccc(OC(=O)N(C)C)cc1)c1ccc(OC(=O)N(C)C)cc1 Show InChI InChI=1S/C27H37N3O6/c1-8-30(9-2)18-19-34-24(31)27(3,20-10-14-22(15-11-20)35-25(32)28(4)5)21-12-16-23(17-13-21)36-26(33)29(6)7/h10-17H,8-9,18-19H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibition of anticholinesterase activity by their ability to inactivate human serum butyrylcholinesterase				J Med Chem 32: 1522-8 (1989) BindingDB Entry DOI: 10.7270/Q2VQ3374
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018227 (2,2-Bis-(4-hydroxy-phenyl)-propionic acid 2-diethy...) Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C21H27NO4/c1-4-22(5-2)14-15-26-20(25)21(3,16-6-10-18(23)11-7-16)17-8-12-19(24)13-9-17/h6-13,23-24H,4-5,14-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibition of carbachol-induced release of alpha-amylase from pancreatic acinar cells from that of rat ileum contained the M2 receptor subtypes				J Med Chem 32: 1522-8 (1989) BindingDB Entry DOI: 10.7270/Q2VQ3374
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibition of anticholinesterase activity by their ability to inactivate human serum butyrylcholinesterase				J Med Chem 32: 1522-8 (1989) BindingDB Entry DOI: 10.7270/Q2VQ3374
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50451447 (CHEMBL4217988) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK cells by patch clamp electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50451447 (CHEMBL4217988) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50451457 (CHEMBL4210135) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCN(CC2)C(=O)CCc2ccc(cc2)C(=O)c2ccc(OCCC#C)cc2)c1 Show InChI InChI=1S/C55H48F3N7O6S2/c1-2-3-29-70-47-15-12-40(13-16-47)53(67)39-10-7-37(8-11-39)9-20-52(66)65-27-23-38(24-28-65)21-25-60-35-46-31-43(22-26-61-46)49-33-42(41-5-4-6-45(30-41)55(56,57)58)14-18-51(49)71-50-19-17-48(32-44(50)34-59)73(68,69)64-54-62-36-63-72-54/h1,4-8,10-19,22,26,30-33,36,38,60H,3,9,20-21,23-25,27-29,35H2,(H,62,63,64)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK cells by patch clamp electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50451458 (CHEMBL4205773) Show SMILES NCc1cc(ccn1)-c1cc(ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C28H19F3N6O3S2/c29-28(30,31)21-3-1-2-17(10-21)18-4-6-26(24(13-18)19-8-9-34-22(11-19)15-33)40-25-7-5-23(12-20(25)14-32)42(38,39)37-27-35-16-36-41-27/h1-13,16H,15,33H2,(H,35,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK cells by patch clamp electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Mus musculus)	BDBM50451447 (CHEMBL4217988) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse Nav1.7 expressed in HEK cells by patch clamp electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50451456 (CHEMBL4215058) Show SMILES Cc1cc(C)n2c1C=C1C=CC(CCCCC(=O)NCCOCCOCCC(=O)N3CCC(CCNCc4cc(ccn4)-c4cc(ccc4Oc4ccc(cc4C#N)S(=O)(=O)Nc4ncns4)-c4cccc(c4)C(F)(F)F)CC3)=[N+]1[B-]2(F)F |c:10,85,t:8| Show InChI InChI=1S/C58H62BF5N10O7S2/c1-39-30-40(2)73-52(39)35-49-12-11-48(74(49)59(73,63)64)8-3-4-9-55(75)68-23-27-80-29-28-79-26-20-56(76)72-24-18-41(19-25-72)16-21-66-37-47-32-44(17-22-67-47)51-34-43(42-6-5-7-46(31-42)58(60,61)62)10-14-54(51)81-53-15-13-50(33-45(53)36-65)83(77,78)71-57-69-38-70-82-57/h5-7,10-15,17,22,30-35,38,41,66H,3-4,8-9,16,18-21,23-29,37H2,1-2H3,(H,68,75)(H,69,70,71)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK cells by patch clamp electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50451458 (CHEMBL4205773) Show SMILES NCc1cc(ccn1)-c1cc(ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C28H19F3N6O3S2/c29-28(30,31)21-3-1-2-17(10-21)18-4-6-26(24(13-18)19-8-9-34-22(11-19)15-33)40-25-7-5-23(12-20(25)14-32)42(38,39)37-27-35-16-36-41-27/h1-13,16H,15,33H2,(H,35,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50451454 (CHEMBL4207534) Show SMILES Clc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1cccc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C29H29ClN6O3S2/c30-24-4-6-28(39-27-7-5-25(15-23(27)17-31)41(37,38)36-29-34-19-35-40-29)26(16-24)22-3-1-2-21(14-22)18-33-13-10-20-8-11-32-12-9-20/h1-7,14-16,19-20,32-33H,8-13,18H2,(H,34,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50451459 (CHEMBL4208664) Show SMILES NCc1cc(ccn1)-c1cc(ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nncs1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H18ClF4N5O3S2/c28-21-11-25(42(38,39)37-26-36-35-14-41-26)22(29)12-24(21)40-23-5-4-16(15-2-1-3-18(8-15)27(30,31)32)10-20(23)17-6-7-34-19(9-17)13-33/h1-12,14H,13,33H2,(H,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50451453 (CHEMBL2325603) Show SMILES Clc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1cccc(CN2CCC2)c1 Show InChI InChI=1S/C25H20ClN5O3S2/c26-20-5-7-24(22(13-20)18-4-1-3-17(11-18)15-31-9-2-10-31)34-23-8-6-21(12-19(23)14-27)36(32,33)30-25-28-16-29-35-25/h1,3-8,11-13,16H,2,9-10,15H2,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Sodium channel protein type 10 subunit alpha (Homo sapiens (Human))	BDBM50507856 (CHEMBL4483603) Show SMILES CCC[C@H](N)c1nc2cc(ccc2[nH]1)C(C)(C)C |r| Show InChI InChI=1S/C15H23N3/c1-5-6-11(16)14-17-12-8-7-10(15(2,3)4)9-13(12)18-14/h7-9,11H,5-6,16H2,1-4H3,(H,17,18)/t11-/m0/s1	PDB UniProtKB/SwissProt 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.8 expressed in HEK cells by patch-clamp electrophysiology method				Bioorg Med Chem 27: 230-239 (2019) Article DOI: 10.1016/j.bmc.2018.12.002 BindingDB Entry DOI: 10.7270/Q2ZK5KZN
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM50451447 (CHEMBL4217988) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.2 expressed in HEK cells by patch clamp electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50451448 (CHEMBL4213464) Show SMILES CC(=O)N1CCC(CCNCc2cc(ccn2)-c2cc(ccc2Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)-c2cccc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C37H34F3N7O4S2/c1-24(48)47-15-11-25(12-16-47)9-13-42-22-31-18-28(10-14-43-31)33-20-27(26-3-2-4-30(17-26)37(38,39)40)5-7-35(33)51-34-8-6-32(19-29(34)21-41)53(49,50)46-36-44-23-45-52-36/h2-8,10,14,17-20,23,25,42H,9,11-13,15-16,22H2,1H3,(H,44,45,46)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50451460 (CHEMBL4215917) Show SMILES Fc1cc(Oc2ccc(Cl)cc2-c2ccnc(CN3CCC3)c2)c(Cl)cc1S(=O)(=O)Nc1nncs1 Show InChI InChI=1S/C23H18Cl2FN5O3S2/c24-15-2-3-20(17(9-15)14-4-5-27-16(8-14)12-31-6-1-7-31)34-21-11-19(26)22(10-18(21)25)36(32,33)30-23-29-28-13-35-23/h2-5,8-11,13H,1,6-7,12H2,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530873 (CHEMBL4456215) Show SMILES CN(C1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)S(C)(=O)=O Show InChI InChI=1S/C22H30N8O3S2/c1-28(35(2,31)32)16-4-3-5-29(13-16)14-17-10-18-19(34-17)21(30-6-8-33-9-7-30)27-20(26-18)15-11-24-22(23)25-12-15/h10-12,16H,3-9,13-14H2,1-2H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530873 (CHEMBL4456215) Show SMILES CN(C1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)S(C)(=O)=O Show InChI InChI=1S/C22H30N8O3S2/c1-28(35(2,31)32)16-4-3-5-29(13-16)14-17-10-18-19(34-17)21(30-6-8-33-9-7-30)27-20(26-18)15-11-24-22(23)25-12-15/h10-12,16H,3-9,13-14H2,1-2H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Sodium channel protein type 8 subunit alpha (Rattus norvegicus)	BDBM50451447 (CHEMBL4217988) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat Nav1.6 expressed in HEK cells by patch clamp electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Sodium channel protein type 8 subunit alpha (Homo sapiens (Human))	BDBM50451447 (CHEMBL4217988) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.6 expressed in HEK cells by patch clamp electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530894 (CHEMBL4437468) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1)C(C)=O Show InChI InChI=1S/C23H30N8O2S/c1-15(32)29(2)17-3-5-30(6-4-17)14-18-11-19-20(34-18)22(31-7-9-33-10-8-31)28-21(27-19)16-12-25-23(24)26-13-16/h11-13,17H,3-10,14H2,1-2H3,(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530928 (CHEMBL4534127) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)S(C)(=O)=O Show InChI InChI=1S/C21H28N8O3S2/c1-27(34(2,30)31)15-3-4-28(12-15)13-16-9-17-18(33-16)20(29-5-7-32-8-6-29)26-19(25-17)14-10-23-21(22)24-11-14/h9-11,15H,3-8,12-13H2,1-2H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530894 (CHEMBL4437468) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1)C(C)=O Show InChI InChI=1S/C23H30N8O2S/c1-15(32)29(2)17-3-5-30(6-4-17)14-18-11-19-20(34-18)22(31-7-9-33-10-8-31)28-21(27-19)16-12-25-23(24)26-13-16/h11-13,17H,3-10,14H2,1-2H3,(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530928 (CHEMBL4534127) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)S(C)(=O)=O Show InChI InChI=1S/C21H28N8O3S2/c1-27(34(2,30)31)15-3-4-28(12-15)13-16-9-17-18(33-16)20(29-5-7-32-8-6-29)26-19(25-17)14-10-23-21(22)24-11-14/h9-11,15H,3-8,12-13H2,1-2H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 744 total )  |  Next  |  Last  >>

Jump to: