Compile Data Set for Download or QSAR

Found 370 hits with Last Name = 'wheeldon' and Initial = 'a'   

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
Substance-K receptor (Homo sapiens (Human))	BDBM50277511 (3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...) Show SMILES C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)C1=CC(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,t:22| Show InChI InChI=1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human NK2 receptor				J Med Chem 52: 3039-46 (2009) Article DOI: 10.1021/jm8016514 BindingDB Entry DOI: 10.7270/Q2FX79BT
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50277511 (3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...) Show SMILES C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)C1=CC(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,t:22| Show InChI InChI=1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human NK3 receptor				J Med Chem 52: 3039-46 (2009) Article DOI: 10.1021/jm8016514 BindingDB Entry DOI: 10.7270/Q2FX79BT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50180545 (2-(3,5-bis(trifluoromethyl)benzyloxy)-6-(2-methyl-...) Show SMILES Cn1nnc(n1)C1CC2(NC1CCC2OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 |TLB:4:6:9:12.11.13,THB:14:13:9:6.7| Show InChI InChI=1S/C24H23F6N5O/c1-35-33-21(32-34-35)18-12-22(15-5-3-2-4-6-15)20(8-7-19(18)31-22)36-13-14-9-16(23(25,26)27)11-17(10-14)24(28,29)30/h2-6,9-11,18-20,31H,7-8,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells				Bioorg Med Chem Lett 16: 2008-12 (2006) Article DOI: 10.1016/j.bmcl.2005.12.069 BindingDB Entry DOI: 10.7270/Q28W3CWD
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50178273 (CHEMBL202775 | N-((2-(2-cyclopropoxy-5-(trifluorom...) Show SMILES Fc1ccc(cc1)C12CC(CNS(=O)(=O)c3ccccc3)C(CCC1NCc1cc(OC(F)(F)F)ccc1OC1CC1)N2 Show InChI InChI=1S/C31H33F4N3O4S/c32-23-8-6-22(7-9-23)30-17-21(19-37-43(39,40)26-4-2-1-3-5-26)27(38-30)13-15-29(30)36-18-20-16-25(42-31(33,34)35)12-14-28(20)41-24-10-11-24/h1-9,12,14,16,21,24,27,29,36-38H,10-11,13,15,17-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]-labelled MK499 from cloned hERG potassium channel expressed in HEK cells				Bioorg Med Chem Lett 16: 811-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.026 BindingDB Entry DOI: 10.7270/Q2JW8DGT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50178267 (CHEMBL201362 | N-(2-methoxy-5-(trifluoromethoxy)be...) Show SMILES COc1ccc(OC(F)(F)F)cc1CNC1CCC2CCC1(N2)c1ccccc1 Show InChI InChI=1S/C22H25F3N2O2/c1-28-19-9-8-18(29-22(23,24)25)13-15(19)14-26-20-10-7-17-11-12-21(20,27-17)16-5-3-2-4-6-16/h2-6,8-9,13,17,20,26-27H,7,10-12,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]-labelled MK499 from cloned hERG potassium channel expressed in HEK cells				Bioorg Med Chem Lett 16: 811-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.026 BindingDB Entry DOI: 10.7270/Q2JW8DGT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50178271 ((2-(2-cyclopropoxy-5-(trifluoromethoxy)benzylamino...) Show SMILES OCC1CC2(NC1CCC2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccccc1 Show InChI InChI=1S/C25H29F3N2O3/c26-25(27,28)33-20-8-10-22(32-19-6-7-19)16(12-20)14-29-23-11-9-21-17(15-31)13-24(23,30-21)18-4-2-1-3-5-18/h1-5,8,10,12,17,19,21,23,29-31H,6-7,9,11,13-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]-labelled MK499 from cloned hERG potassium channel expressed in HEK cells				Bioorg Med Chem Lett 16: 811-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.026 BindingDB Entry DOI: 10.7270/Q2JW8DGT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50180546 (2-(3,5-bis(trifluoromethyl)benzyloxy)-1-phenyl-8-a...) Show SMILES FC(F)(F)c1cc(COC2CCC3CCC2(N3)c2ccccc2)cc(c1)C(F)(F)F |THB:8:9:16:13.14| Show InChI InChI=1S/C22H21F6NO/c23-21(24,25)16-10-14(11-17(12-16)22(26,27)28)13-30-19-7-6-18-8-9-20(19,29-18)15-4-2-1-3-5-15/h1-5,10-12,18-19,29H,6-9,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells				Bioorg Med Chem Lett 16: 2008-12 (2006) Article DOI: 10.1016/j.bmcl.2005.12.069 BindingDB Entry DOI: 10.7270/Q28W3CWD
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50178270 (CHEMBL382803 | N-(2-cyclopropoxy-5-(trifluorometho...) Show SMILES FC(F)(F)Oc1ccc(OC2CC2)c(CNC2CCC3CCC2(N3)c2ccccc2)c1 Show InChI InChI=1S/C24H27F3N2O2/c25-24(26,27)31-20-9-10-21(30-19-7-8-19)16(14-20)15-28-22-11-6-18-12-13-23(22,29-18)17-4-2-1-3-5-17/h1-5,9-10,14,18-19,22,28-29H,6-8,11-13,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]-labelled MK499 from cloned hERG potassium channel expressed in HEK cells				Bioorg Med Chem Lett 16: 811-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.026 BindingDB Entry DOI: 10.7270/Q2JW8DGT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50178269 (CHEMBL382848 | N-((2-(2-cyclopropoxy-5-(trifluorom...) Show SMILES CS(=O)(=O)NCC1CC2(NC1CCC2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccc(F)cc1 Show InChI InChI=1S/C26H31F4N3O4S/c1-38(34,35)32-15-17-13-25(18-2-4-19(27)5-3-18)24(11-9-22(17)33-25)31-14-16-12-21(37-26(28,29)30)8-10-23(16)36-20-6-7-20/h2-5,8,10,12,17,20,22,24,31-33H,6-7,9,11,13-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]-labelled MK499 from cloned hERG potassium channel expressed in HEK cells				Bioorg Med Chem Lett 16: 811-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.026 BindingDB Entry DOI: 10.7270/Q2JW8DGT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50180553 (2-(3,5-bis(trifluoromethyl)benzyloxy)-6-(1-methyl-...) Show SMILES Cn1nnnc1C1CC2(NC1CCC2OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 |TLB:5:6:9:12.11.13,THB:14:13:9:6.7| Show InChI InChI=1S/C24H23F6N5O/c1-35-21(32-33-34-35)18-12-22(15-5-3-2-4-6-15)20(8-7-19(18)31-22)36-13-14-9-16(23(25,26)27)11-17(10-14)24(28,29)30/h2-6,9-11,18-20,31H,7-8,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells				Bioorg Med Chem Lett 16: 2008-12 (2006) Article DOI: 10.1016/j.bmcl.2005.12.069 BindingDB Entry DOI: 10.7270/Q28W3CWD
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50180554 (2-(3,5-bis(trifluoromethyl)benzyloxy)-1-phenyl-6-(...) Show SMILES FC(F)(F)c1cc(COC2CCC3NC2(CC3S(=O)(=O)c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F |TLB:8:9:13:16.15,THB:17:16:13:10.11.9| Show InChI InChI=1S/C28H25F6NO3S/c29-27(30,31)20-13-18(14-21(15-20)28(32,33)34)17-38-25-12-11-23-24(39(36,37)22-9-5-2-6-10-22)16-26(25,35-23)19-7-3-1-4-8-19/h1-10,13-15,23-25,35H,11-12,16-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells				Bioorg Med Chem Lett 16: 2008-12 (2006) Article DOI: 10.1016/j.bmcl.2005.12.069 BindingDB Entry DOI: 10.7270/Q28W3CWD
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50178274 (CHEMBL202141 | N-(2-chloro-5-(trifluoromethoxy)ben...) Show SMILES FC(F)(F)Oc1ccc(Cl)c(CNC2CCC3CCC2(N3)c2ccccc2)c1 Show InChI InChI=1S/C21H22ClF3N2O/c22-18-8-7-17(28-21(23,24)25)12-14(18)13-26-19-9-6-16-10-11-20(19,27-16)15-4-2-1-3-5-15/h1-5,7-8,12,16,19,26-27H,6,9-11,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]-labelled MK499 from cloned hERG potassium channel expressed in HEK cells				Bioorg Med Chem Lett 16: 811-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.026 BindingDB Entry DOI: 10.7270/Q2JW8DGT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50185068 ((7S,8R)-7-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...) Show SMILES C[C@@H](O[C@H]1CCn2ccnc2C[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H21F7N2O/c1-14(16-10-17(23(26,27)28)12-18(11-16)24(29,30)31)34-21-6-8-33-9-7-32-22(33)13-20(21)15-2-4-19(25)5-3-15/h2-5,7,9-12,14,20-21H,6,8,13H2,1H3/t14-,20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of labeled MK-499 from cloned hERG channel expressed in HEK cells				Bioorg Med Chem Lett 16: 2929-32 (2006) Article DOI: 10.1016/j.bmcl.2006.02.080 BindingDB Entry DOI: 10.7270/Q2VX0G3T
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50067935 ((2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-p...) Show SMILES COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C20H23F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,24-25H,5,8,11,13H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]-labelled MK499 from cloned hERG potassium channel expressed in HEK cells				Bioorg Med Chem Lett 16: 811-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.026 BindingDB Entry DOI: 10.7270/Q2JW8DGT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50180547 (2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6...) Show SMILES C[C@@H](OC1CCC2NC1(CC2c1nnn(C)n1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |TLB:2:3:7:10.9,THB:11:10:7:4.5.3| Show InChI InChI=1S/C25H25F6N5O/c1-14(15-10-17(24(26,27)28)12-18(11-15)25(29,30)31)37-21-9-8-20-19(22-33-35-36(2)34-22)13-23(21,32-20)16-6-4-3-5-7-16/h3-7,10-12,14,19-21,32H,8-9,13H2,1-2H3/t14-,19?,20?,21?,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells				Bioorg Med Chem Lett 16: 2008-12 (2006) Article DOI: 10.1016/j.bmcl.2005.12.069 BindingDB Entry DOI: 10.7270/Q28W3CWD
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50185073 ((6S,7S)-7-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...) Show SMILES C[C@@H](O[C@H]1CCc2nccn2C[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H21F7N2O/c1-14(16-10-17(23(26,27)28)12-18(11-16)24(29,30)31)34-21-6-7-22-32-8-9-33(22)13-20(21)15-2-4-19(25)5-3-15/h2-5,8-12,14,20-21H,6-7,13H2,1H3/t14-,20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of labeled MK-499 from cloned hERG channel expressed in HEK cells				Bioorg Med Chem Lett 16: 2929-32 (2006) Article DOI: 10.1016/j.bmcl.2006.02.080 BindingDB Entry DOI: 10.7270/Q2VX0G3T
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50180548 (2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1...) Show SMILES C[C@@H](OC1CCC2NC1(CC2S(=O)(=O)c1ccccc1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |TLB:2:3:7:10.9,THB:11:10:7:4.5.3| Show InChI InChI=1S/C29H27F6NO3S/c1-18(19-14-21(28(30,31)32)16-22(15-19)29(33,34)35)39-26-13-12-24-25(40(37,38)23-10-6-3-7-11-23)17-27(26,36-24)20-8-4-2-5-9-20/h2-11,14-16,18,24-26,36H,12-13,17H2,1H3/t18-,24?,25?,26?,27?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells				Bioorg Med Chem Lett 16: 2008-12 (2006) Article DOI: 10.1016/j.bmcl.2005.12.069 BindingDB Entry DOI: 10.7270/Q28W3CWD
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50185062 ((3R,5S,6S)-5-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@H]1C[C@@H](C)C(=O)NC[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H22F7NO2/c1-12-7-20(19(11-31-21(12)32)14-3-5-18(24)6-4-14)33-13(2)15-8-16(22(25,26)27)10-17(9-15)23(28,29)30/h3-6,8-10,12-13,19-20H,7,11H2,1-2H3,(H,31,32)/t12-,13-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of labeled MK-499 from cloned hERG channel expressed in HEK cells				Bioorg Med Chem Lett 16: 2929-32 (2006) Article DOI: 10.1016/j.bmcl.2006.02.080 BindingDB Entry DOI: 10.7270/Q2VX0G3T
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50180550 (2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6...) Show SMILES C[C@@H](OC1CCC2NC1(CC2c1nnnn1C)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |TLB:2:3:7:10.9,THB:11:10:7:4.5.3| Show InChI InChI=1S/C25H25F6N5O/c1-14(15-10-17(24(26,27)28)12-18(11-15)25(29,30)31)37-21-9-8-20-19(22-33-34-35-36(22)2)13-23(21,32-20)16-6-4-3-5-7-16/h3-7,10-12,14,19-21,32H,8-9,13H2,1-2H3/t14-,19?,20?,21?,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells				Bioorg Med Chem Lett 16: 2008-12 (2006) Article DOI: 10.1016/j.bmcl.2005.12.069 BindingDB Entry DOI: 10.7270/Q28W3CWD
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50178266 (2-(2-cyclopropoxy-5-(trifluoromethoxy)benzylamino)...) Show SMILES OC(=O)C1CC2(NC1CCC2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccc(F)cc1 Show InChI InChI=1S/C25H26F4N2O4/c26-16-3-1-15(2-4-16)24-12-19(23(32)33)20(31-24)8-10-22(24)30-13-14-11-18(35-25(27,28)29)7-9-21(14)34-17-5-6-17/h1-4,7,9,11,17,19-20,22,30-31H,5-6,8,10,12-13H2,(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]-labelled MK499 from cloned hERG potassium channel expressed in HEK cells				Bioorg Med Chem Lett 16: 811-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.026 BindingDB Entry DOI: 10.7270/Q2JW8DGT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50180555 (2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6...) Show SMILES C[C@@H](OC1CCC2NC1(CC2(F)c1nnn(C)n1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |TLB:11:10:7:4.5.3,2:3:7:10.9,THB:12:10:7:4.5.3| Show InChI InChI=1S/C25H24F7N5O/c1-14(15-10-17(24(27,28)29)12-18(11-15)25(30,31)32)38-20-9-8-19-22(26,21-34-36-37(2)35-21)13-23(20,33-19)16-6-4-3-5-7-16/h3-7,10-12,14,19-20,33H,8-9,13H2,1-2H3/t14-,19?,20?,22?,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells				Bioorg Med Chem Lett 16: 2008-12 (2006) Article DOI: 10.1016/j.bmcl.2005.12.069 BindingDB Entry DOI: 10.7270/Q28W3CWD
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50178268 (2-(2-cyclopropoxy-5-(trifluoromethoxy)benzylamino)...) Show SMILES CS(=O)(=O)NC(=O)C1CC2(NC1CCC2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccc(F)cc1 Show InChI InChI=1S/C26H29F4N3O5S/c1-39(35,36)33-24(34)20-13-25(16-2-4-17(27)5-3-16)23(11-9-21(20)32-25)31-14-15-12-19(38-26(28,29)30)8-10-22(15)37-18-6-7-18/h2-5,8,10,12,18,20-21,23,31-32H,6-7,9,11,13-14H2,1H3,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]-labelled MK499 from cloned hERG potassium channel expressed in HEK cells				Bioorg Med Chem Lett 16: 811-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.026 BindingDB Entry DOI: 10.7270/Q2JW8DGT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50185066 ((3R,5S,6S)-5-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@H]1C[C@@H](C)C(=O)N(C)C[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H24F7NO2/c1-13-8-21(20(12-32(3)22(13)33)15-4-6-19(25)7-5-15)34-14(2)16-9-17(23(26,27)28)11-18(10-16)24(29,30)31/h4-7,9-11,13-14,20-21H,8,12H2,1-3H3/t13-,14-,20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of labeled MK-499 from cloned hERG channel expressed in HEK cells				Bioorg Med Chem Lett 16: 2929-32 (2006) Article DOI: 10.1016/j.bmcl.2006.02.080 BindingDB Entry DOI: 10.7270/Q2VX0G3T
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50178276 (5-(2-(2-cyclopropoxy-5-(trifluoromethoxy)benzylami...) Show SMILES FC(F)(F)Oc1ccc(OC2CC2)c(CNC2CCC3NC2(CC3c2n[nH]c(=O)[nH]2)c2ccccc2)c1 Show InChI InChI=1S/C26H28F3N5O3/c27-26(28,29)37-18-8-10-21(36-17-6-7-17)15(12-18)14-30-22-11-9-20-19(23-31-24(35)34-33-23)13-25(22,32-20)16-4-2-1-3-5-16/h1-5,8,10,12,17,19-20,22,30,32H,6-7,9,11,13-14H2,(H2,31,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]-labelled MK499 from cloned hERG potassium channel expressed in HEK cells				Bioorg Med Chem Lett 16: 811-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.026 BindingDB Entry DOI: 10.7270/Q2JW8DGT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50178272 (CHEMBL201192 | N-(2-cyclopropoxy-5-(trifluorometho...) Show SMILES FC(F)(F)Oc1ccc(OC2CC2)c(CNC2CCC3NC2(CC3c2nnn[nH]2)c2ccccc2)c1 Show InChI InChI=1S/C25H27F3N6O2/c26-25(27,28)36-18-8-10-21(35-17-6-7-17)15(12-18)14-29-22-11-9-20-19(23-31-33-34-32-23)13-24(22,30-20)16-4-2-1-3-5-16/h1-5,8,10,12,17,19-20,22,29-30H,6-7,9,11,13-14H2,(H,31,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]-labelled MK499 from cloned hERG potassium channel expressed in HEK cells				Bioorg Med Chem Lett 16: 811-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.026 BindingDB Entry DOI: 10.7270/Q2JW8DGT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50178265 (2-(2-cyclopropoxy-5-(trifluoromethoxy)benzylamino)...) Show SMILES Fc1ccc(cc1)C12CC(C(CCC1NCc1cc(OC(F)(F)F)ccc1OC1CC1)N2)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H31F4N3O5S/c32-21-8-6-20(7-9-21)30-17-25(29(39)38-44(40,41)24-4-2-1-3-5-24)26(37-30)13-15-28(30)36-18-19-16-23(43-31(33,34)35)12-14-27(19)42-22-10-11-22/h1-9,12,14,16,22,25-26,28,36-37H,10-11,13,15,17-18H2,(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]-labelled MK499 from cloned hERG potassium channel expressed in HEK cells				Bioorg Med Chem Lett 16: 811-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.026 BindingDB Entry DOI: 10.7270/Q2JW8DGT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50185069 ((5S,6S,7S)-5-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@H]1CCC(=O)N(C)[C@@H](C)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H24F7NO2/c1-13-22(15-4-6-19(25)7-5-15)20(8-9-21(33)32(13)3)34-14(2)16-10-17(23(26,27)28)12-18(11-16)24(29,30)31/h4-7,10-14,20,22H,8-9H2,1-3H3/t13-,14+,20-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of labeled MK-499 from cloned hERG channel expressed in HEK cells				Bioorg Med Chem Lett 16: 2929-32 (2006) Article DOI: 10.1016/j.bmcl.2006.02.080 BindingDB Entry DOI: 10.7270/Q2VX0G3T
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50185061 ((4R,5S,7R)-5-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@H]1C[C@@H](C)NC(=O)C[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H22F7NO2/c1-12-7-20(19(11-21(32)31-12)14-3-5-18(24)6-4-14)33-13(2)15-8-16(22(25,26)27)10-17(9-15)23(28,29)30/h3-6,8-10,12-13,19-20H,7,11H2,1-2H3,(H,31,32)/t12-,13-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of labeled MK-499 from cloned hERG channel expressed in HEK cells				Bioorg Med Chem Lett 16: 2929-32 (2006) Article DOI: 10.1016/j.bmcl.2006.02.080 BindingDB Entry DOI: 10.7270/Q2VX0G3T
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50185060 ((7S,8R)-7-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...) Show SMILES C[C@@H](O[C@H]1CCn2c(C[C@@H]1c1ccc(F)cc1)n[nH]c2=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H20F7N3O2/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)35-19-6-7-33-20(31-32-21(33)34)11-18(19)13-2-4-17(24)5-3-13/h2-5,8-10,12,18-19H,6-7,11H2,1H3,(H,32,34)/t12-,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of labeled MK-499 from cloned hERG channel expressed in HEK cells				Bioorg Med Chem Lett 16: 2929-32 (2006) Article DOI: 10.1016/j.bmcl.2006.02.080 BindingDB Entry DOI: 10.7270/Q2VX0G3T
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50185064 ((5S,6S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...) Show SMILES C[C@@H](O[C@H]1CCC(=O)N(C)C[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H22F7NO2/c1-13(15-9-16(22(25,26)27)11-17(10-15)23(28,29)30)33-20-7-8-21(32)31(2)12-19(20)14-3-5-18(24)6-4-14/h3-6,9-11,13,19-20H,7-8,12H2,1-2H3/t13-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of labeled MK-499 from cloned hERG channel expressed in HEK cells				Bioorg Med Chem Lett 16: 2929-32 (2006) Article DOI: 10.1016/j.bmcl.2006.02.080 BindingDB Entry DOI: 10.7270/Q2VX0G3T
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50185072 ((5S,6S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...) Show SMILES C[C@@H](O[C@H]1CCC(=O)NC[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H20F7NO2/c1-12(14-8-15(21(24,25)26)10-16(9-14)22(27,28)29)32-19-6-7-20(31)30-11-18(19)13-2-4-17(23)5-3-13/h2-5,8-10,12,18-19H,6-7,11H2,1H3,(H,30,31)/t12-,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of labeled MK-499 from cloned hERG channel expressed in HEK cells				Bioorg Med Chem Lett 16: 2929-32 (2006) Article DOI: 10.1016/j.bmcl.2006.02.080 BindingDB Entry DOI: 10.7270/Q2VX0G3T
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50185067 ((4R,5S,7R)-5-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@H]1C[C@@H](C)N(C)C(=O)C[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H24F7NO2/c1-13-8-21(20(12-22(33)32(13)3)15-4-6-19(25)7-5-15)34-14(2)16-9-17(23(26,27)28)11-18(10-16)24(29,30)31/h4-7,9-11,13-14,20-21H,8,12H2,1-3H3/t13-,14-,20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of labeled MK-499 from cloned hERG channel expressed in HEK cells				Bioorg Med Chem Lett 16: 2929-32 (2006) Article DOI: 10.1016/j.bmcl.2006.02.080 BindingDB Entry DOI: 10.7270/Q2VX0G3T
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50185071 ((5S,6S,7S)-5-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@H]1CCC(=O)N[C@@H](C)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H22F7NO2/c1-12-21(14-3-5-18(24)6-4-14)19(7-8-20(32)31-12)33-13(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30/h3-6,9-13,19,21H,7-8H2,1-2H3,(H,31,32)/t12-,13+,19-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of labeled MK-499 from cloned hERG channel expressed in HEK cells				Bioorg Med Chem Lett 16: 2929-32 (2006) Article DOI: 10.1016/j.bmcl.2006.02.080 BindingDB Entry DOI: 10.7270/Q2VX0G3T
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50185070 ((4R,5S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...) Show SMILES C[C@@H](O[C@H]1CCN(C)C(=O)C[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H22F7NO2/c1-13(15-9-16(22(25,26)27)11-17(10-15)23(28,29)30)33-20-7-8-31(2)21(32)12-19(20)14-3-5-18(24)6-4-14/h3-6,9-11,13,19-20H,7-8,12H2,1-2H3/t13-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of labeled MK-499 from cloned hERG channel expressed in HEK cells				Bioorg Med Chem Lett 16: 2929-32 (2006) Article DOI: 10.1016/j.bmcl.2006.02.080 BindingDB Entry DOI: 10.7270/Q2VX0G3T
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50185063 ((6S,7S)-7-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...) Show SMILES C[C@@H](O[C@H]1CCc2n[nH]c(=O)n2C[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H20F7N3O2/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)35-19-6-7-20-31-32-21(34)33(20)11-18(19)13-2-4-17(24)5-3-13/h2-5,8-10,12,18-19H,6-7,11H2,1H3,(H,32,34)/t12-,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of labeled MK-499 from cloned hERG channel expressed in HEK cells				Bioorg Med Chem Lett 16: 2929-32 (2006) Article DOI: 10.1016/j.bmcl.2006.02.080 BindingDB Entry DOI: 10.7270/Q2VX0G3T
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50185065 ((4R,5S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...) Show SMILES C[C@@H](O[C@H]1CCNC(=O)C[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H20F7NO2/c1-12(14-8-15(21(24,25)26)10-16(9-14)22(27,28)29)32-19-6-7-30-20(31)11-18(19)13-2-4-17(23)5-3-13/h2-5,8-10,12,18-19H,6-7,11H2,1H3,(H,30,31)/t12-,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of labeled MK-499 from cloned hERG channel expressed in HEK cells				Bioorg Med Chem Lett 16: 2929-32 (2006) Article DOI: 10.1016/j.bmcl.2006.02.080 BindingDB Entry DOI: 10.7270/Q2VX0G3T
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50180551 (2-(3,5-bis(trifluoromethyl)benzyloxy)-6-fluoro-6-(...) Show SMILES Cn1nnc(n1)C1(F)CC2(NC1CCC2OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 |TLB:4:6:10:13.12.14,THB:7:6:10:13.12.14,15:14:10:6.8| Show InChI InChI=1S/C24H22F7N5O/c1-36-34-20(33-35-36)21(25)13-22(15-5-3-2-4-6-15)19(8-7-18(21)32-22)37-12-14-9-16(23(26,27)28)11-17(10-14)24(29,30)31/h2-6,9-11,18-19,32H,7-8,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells				Bioorg Med Chem Lett 16: 2008-12 (2006) Article DOI: 10.1016/j.bmcl.2005.12.069 BindingDB Entry DOI: 10.7270/Q28W3CWD
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50314371 ((1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...) Show SMILES C[C@@H](O[C@H]1CN2C(CC=CC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,c:8| Show InChI InChI=1S/C24H20F7NO2/c1-13(15-9-16(23(26,27)28)11-17(10-15)24(29,30)31)34-20-12-32-19(3-2-4-21(32)33)22(20)14-5-7-18(25)8-6-14/h2,4-11,13,19-20,22H,3,12H2,1H3/t13-,19?,20+,22+/m1/s1	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	0.0130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2354-8 (2010) Article DOI: 10.1016/j.bmcl.2010.01.120 BindingDB Entry DOI: 10.7270/Q2JD4XR8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50220124 (1-(4-((3S,4R)-3-(5-(2-(3,5-bis(trifluoromethyl)phe...) Show SMILES CC(=O)N1CCC(CC1)C(=O)N1C[C@H]([C@@H](C1)c1ccc(F)cc1C)c1noc(n1)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C32H33F7N4O3/c1-17-11-23(33)5-6-24(17)25-15-43(28(45)19-7-9-42(10-8-19)18(2)44)16-26(25)27-40-29(46-41-27)30(3,4)20-12-21(31(34,35)36)14-22(13-20)32(37,38)39/h5-6,11-14,19,25-26H,7-10,15-16H2,1-4H3/t25-,26+/m0/s1	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	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5310-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.028 BindingDB Entry DOI: 10.7270/Q2DR2V75
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50314389 ((1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...) Show SMILES C[C@@H](O[C@H]1CN2C(CC(=CC2=O)C2CCN(CC2)C(C)(C)C)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,c:8| Show InChI InChI=1S/C33H37F7N2O2/c1-19(22-13-24(32(35,36)37)17-25(14-22)33(38,39)40)44-28-18-42-27(30(28)21-5-7-26(34)8-6-21)15-23(16-29(42)43)20-9-11-41(12-10-20)31(2,3)4/h5-8,13-14,16-17,19-20,27-28,30H,9-12,15,18H2,1-4H3/t19-,27?,28+,30+/m1/s1	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	0.0410	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2354-8 (2010) Article DOI: 10.1016/j.bmcl.2010.01.120 BindingDB Entry DOI: 10.7270/Q2JD4XR8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50220132 ((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1C)C(=O)C1CCN(CC1)C(C)=O Show InChI InChI=1S/C30H32F7N3O3/c1-17-10-23(31)4-5-24(17)25-15-40(27(42)20-6-8-39(9-7-20)18(2)41)16-26(25)28(43)38(3)14-19-11-21(29(32,33)34)13-22(12-19)30(35,36)37/h4-5,10-13,20,25-26H,6-9,14-16H2,1-3H3/t25-,26+/m1/s1	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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5310-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.028 BindingDB Entry DOI: 10.7270/Q2DR2V75
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50220121 ((3R,4S)-N-(2-(3,5-bis(trifluoromethyl)phenyl)propa...) Show SMILES CN(C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1C)C(=O)C1CCN(CC1)C(C)=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C32H36F7N3O3/c1-18-12-24(33)6-7-25(18)26-16-42(28(44)20-8-10-41(11-9-20)19(2)43)17-27(26)29(45)40(5)30(3,4)21-13-22(31(34,35)36)15-23(14-21)32(37,38)39/h6-7,12-15,20,26-27H,8-11,16-17H2,1-5H3/t26-,27+/m1/s1	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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5310-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.028 BindingDB Entry DOI: 10.7270/Q2DR2V75
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50218239 ((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...) Show SMILES CC(C)NC(=O)N1C[C@@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H](C1)c1ccc(F)cc1 Show InChI InChI=1S/C24H25F7N2O2/c1-13(2)32-22(34)33-11-20(15-4-6-19(25)7-5-15)21(12-33)35-14(3)16-8-17(23(26,27)28)10-18(9-16)24(29,30)31/h4-10,13-14,20-21H,11-12H2,1-3H3,(H,32,34)/t14-,20+,21-/m1/s1	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	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313627 ((6R,7S,7aS)-2-amino-6-((R)-1-(3,5-bis(trifluoromet...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(N)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N2O2/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-19-10-32-18(9-17(31)21(32)33)20(19)12-2-4-16(24)5-3-12/h2-8,11,17-20H,9-10,31H2,1H3/t11-,17?,18+,19+,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 5925-32 (2010) Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50234162 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CCC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H20F7NO2/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)33-19-11-31-18(6-7-20(31)32)21(19)13-2-4-17(24)5-3-13/h2-5,8-10,12,18-19,21H,6-7,11H2,1H3/t12-,18+,19+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 5925-32 (2010) Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50327374 ((1S,2R,5aS,7S,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@H](O)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H24F7NO3/c1-12(14-6-15(25(28,29)30)8-16(7-14)26(31,32)33)37-21-11-34-23(19-9-18(35)10-20(19)24(34)36)22(21)13-2-4-17(27)5-3-13/h2-8,12,18-23,35H,9-11H2,1H3/t12-,18+,19-,20+,21+,22-,23+/m1/s1	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	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 5925-32 (2010) Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313630 ((6R,7S,7aS)-2-((1H-pyrazol-5-yl)methylamino)-6-((R...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(NCc3ccn[nH]3)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H25F7N4O2/c1-14(16-8-17(26(29,30)31)10-18(9-16)27(32,33)34)40-23-13-38-22(24(23)15-2-4-19(28)5-3-15)11-21(25(38)39)35-12-20-6-7-36-37-20/h2-10,14,21-24,35H,11-13H2,1H3,(H,36,37)/t14-,21?,22+,23+,24+/m1/s1	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	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50372480 (CHEMBL270090) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CNC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H19F7N2O2/c1-11(13-6-14(21(24,25)26)8-15(7-13)22(27,28)29)33-18-10-31-17(9-30-20(31)32)19(18)12-2-4-16(23)5-3-12/h2-8,11,17-19H,9-10H2,1H3,(H,30,32)/t11-,17+,18+,19+/m1/s1	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	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-703606 from human NK1 expressed in CHO cells				Bioorg Med Chem 16: 2156-70 (2008) Article DOI: 10.1016/j.bmc.2007.11.081 BindingDB Entry DOI: 10.7270/Q2BK1D6M
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50234162 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CCC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H20F7NO2/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)33-19-11-31-18(6-7-20(31)32)21(19)13-2-4-17(24)5-3-13/h2-5,8-10,12,18-19,21H,6-7,11H2,1H3/t12-,18+,19+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-703606 from human NK1 expressed in CHO cells				Bioorg Med Chem 16: 2156-70 (2008) Article DOI: 10.1016/j.bmc.2007.11.081 BindingDB Entry DOI: 10.7270/Q2BK1D6M
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50234162 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CCC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H20F7NO2/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)33-19-11-31-18(6-7-20(31)32)21(19)13-2-4-17(24)5-3-13/h2-5,8-10,12,18-19,21H,6-7,11H2,1H3/t12-,18+,19+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair

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