Compile Data Set for Download or QSAR

Found 37 hits with Last Name = 'mcalister' and Initial = 'g'   

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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50320375 ((E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)...) Show SMILES CC(O)c1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2)cc1 Show InChI InChI=1S/C22H19FO3S/c1-16(24)21-4-2-3-5-22(21)27(25,26)20-14-10-18(11-15-20)7-6-17-8-12-19(23)13-9-17/h2-16,24H,1H3/b7-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50320373 ((E)-3-(4-(2,4-difluorostyryl)phenylsulfonyl)benzam...) Show SMILES NC(=O)c1cccc(c1)S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2F)cc1 Show InChI InChI=1S/C21H15F2NO3S/c22-17-9-8-15(20(23)13-17)7-4-14-5-10-18(11-6-14)28(26,27)19-3-1-2-16(12-19)21(24)25/h1-13H,(H2,24,25)/b7-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50320376 ((S,E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)pheny...) Show SMILES C[C@H](O)c1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C22H19FO3S/c1-16(24)21-4-2-3-5-22(21)27(25,26)20-14-10-18(11-15-20)7-6-17-8-12-19(23)13-9-17/h2-16,24H,1H3/b7-6+/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50095027 ((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...) Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/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	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50169842 (1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...) Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H19F4NO2S/c20-15-3-5-17(6-4-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-2-16(21)13-18(14)22/h1-6,13H,7-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50108699 (1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...) Show SMILES Fc1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H20F3NO2S/c20-15-3-5-17(6-4-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-2-16(21)13-19(14)22/h1-6,13,18H,7-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50320374 ((E)-4-(4-(2,4-difluorostyryl)phenylsulfonyl)benzam...) Show SMILES NC(=O)c1ccc(cc1)S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2F)cc1 Show InChI InChI=1S/C21H15F2NO3S/c22-17-8-5-15(20(23)13-17)4-1-14-2-9-18(10-3-14)28(26,27)19-11-6-16(7-12-19)21(24)25/h1-13H,(H2,24,25)/b4-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50320372 ((E)-2-(4-(2,4-difluorostyryl)phenylsulfonyl)benzam...) Show SMILES NC(=O)c1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2F)cc1 Show InChI InChI=1S/C21H15F2NO3S/c22-16-10-9-15(19(23)13-16)8-5-14-6-11-17(12-7-14)28(26,27)20-4-2-1-3-18(20)21(24)25/h1-13H,(H2,24,25)/b8-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50320370 ((E)-2,4-difluoro-1-(4-(phenylsulfonyl)styryl)benze...) Show SMILES Fc1ccc(\C=C\c2ccc(cc2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C20H14F2O2S/c21-17-11-10-16(20(22)14-17)9-6-15-7-12-19(13-8-15)25(23,24)18-4-2-1-3-5-18/h1-14H/b9-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50320371 (2,4-difluoro-1-(4-(phenylsulfonyl)phenethyl)benzen...) Show SMILES Fc1ccc(CCc2ccc(cc2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C20H16F2O2S/c21-17-11-10-16(20(22)14-17)9-6-15-7-12-19(13-8-15)25(23,24)18-4-2-1-3-5-18/h1-5,7-8,10-14H,6,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50320378 (8-(4-(2,4-difluorophenethyl)piperidin-1-ylsulfonyl...) Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2cccc3cccnc23)c(F)c1 Show InChI InChI=1S/C22H22F2N2O2S/c23-19-9-8-17(20(24)15-19)7-6-16-10-13-26(14-11-16)29(27,28)21-5-1-3-18-4-2-12-25-22(18)21/h1-5,8-9,12,15-16H,6-7,10-11,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50185780 ((4-(2,4-difluorophenethyl)piperidin-1-yl)(2-fluoro...) Show SMILES Fc1ccc(CCC2CCN(CC2)C(=O)c2ccccc2F)c(F)c1 Show InChI InChI=1S/C20H20F3NO/c21-16-8-7-15(19(23)13-16)6-5-14-9-11-24(12-10-14)20(25)17-3-1-2-4-18(17)22/h1-4,7-8,13-14H,5-6,9-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50320375 ((E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)...) Show SMILES CC(O)c1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2)cc1 Show InChI InChI=1S/C22H19FO3S/c1-16(24)21-4-2-3-5-22(21)27(25,26)20-14-10-18(11-15-20)7-6-17-8-12-19(23)13-9-17/h2-16,24H,1H3/b7-6+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human 5HT2C receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50095027 ((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...) Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human 5HT2C receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50320373 ((E)-3-(4-(2,4-difluorostyryl)phenylsulfonyl)benzam...) Show SMILES NC(=O)c1cccc(c1)S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2F)cc1 Show InChI InChI=1S/C21H15F2NO3S/c22-17-9-8-15(20(23)13-17)7-4-14-5-10-18(11-6-14)28(26,27)19-3-1-2-16(12-19)21(24)25/h1-13H,(H2,24,25)/b7-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human 5HT2C receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50108699 (1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...) Show SMILES Fc1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H20F3NO2S/c20-15-3-5-17(6-4-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-2-16(21)13-19(14)22/h1-6,13,18H,7-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human 5HT2C receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50320374 ((E)-4-(4-(2,4-difluorostyryl)phenylsulfonyl)benzam...) Show SMILES NC(=O)c1ccc(cc1)S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2F)cc1 Show InChI InChI=1S/C21H15F2NO3S/c22-17-8-5-15(20(23)13-17)4-1-14-2-9-18(10-3-14)28(26,27)19-11-6-16(7-12-19)21(24)25/h1-13H,(H2,24,25)/b4-1+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human 5HT2C receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50320376 ((S,E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)pheny...) Show SMILES C[C@H](O)c1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C22H19FO3S/c1-16(24)21-4-2-3-5-22(21)27(25,26)20-14-10-18(11-15-20)7-6-17-8-12-19(23)13-9-17/h2-16,24H,1H3/b7-6+/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human 5HT2C receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50320370 ((E)-2,4-difluoro-1-(4-(phenylsulfonyl)styryl)benze...) Show SMILES Fc1ccc(\C=C\c2ccc(cc2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C20H14F2O2S/c21-17-11-10-16(20(22)14-17)9-6-15-7-12-19(13-8-15)25(23,24)18-4-2-1-3-5-18/h1-14H/b9-6+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human 5HT2C receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50169842 (1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...) Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H19F4NO2S/c20-15-3-5-17(6-4-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-2-16(21)13-18(14)22/h1-6,13H,7-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human 5HT2C receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50185780 ((4-(2,4-difluorophenethyl)piperidin-1-yl)(2-fluoro...) Show SMILES Fc1ccc(CCC2CCN(CC2)C(=O)c2ccccc2F)c(F)c1 Show InChI InChI=1S/C20H20F3NO/c21-16-8-7-15(19(23)13-16)6-5-14-9-11-24(12-10-14)20(25)17-3-1-2-4-18(17)22/h1-4,7-8,13-14H,5-6,9-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human 5HT2C receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50320372 ((E)-2-(4-(2,4-difluorostyryl)phenylsulfonyl)benzam...) Show SMILES NC(=O)c1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2F)cc1 Show InChI InChI=1S/C21H15F2NO3S/c22-16-10-9-15(19(23)13-16)8-5-14-6-11-17(12-7-14)28(26,27)20-4-2-1-3-18(20)21(24)25/h1-13H,(H2,24,25)/b8-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human 5HT2C receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50320378 (8-(4-(2,4-difluorophenethyl)piperidin-1-ylsulfonyl...) Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2cccc3cccnc23)c(F)c1 Show InChI InChI=1S/C22H22F2N2O2S/c23-19-9-8-17(20(24)15-19)7-6-16-10-13-26(14-11-16)29(27,28)21-5-1-3-18-4-2-12-25-22(18)21/h1-5,8-9,12,15-16H,6-7,10-11,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	184	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human 5HT2C receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50320371 (2,4-difluoro-1-(4-(phenylsulfonyl)phenethyl)benzen...) Show SMILES Fc1ccc(CCc2ccc(cc2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C20H16F2O2S/c21-17-11-10-16(20(22)14-17)9-6-15-7-12-19(13-8-15)25(23,24)18-4-2-1-3-5-18/h1-5,7-8,10-14H,6,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	526	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human 5HT2C receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50108699 (1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...) Show SMILES Fc1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H20F3NO2S/c20-15-3-5-17(6-4-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-2-16(21)13-19(14)22/h1-6,13,18H,7-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG receptor expressed HEK cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50095027 ((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...) Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG receptor expressed HEK cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50320375 ((E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)...) Show SMILES CC(O)c1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2)cc1 Show InChI InChI=1S/C22H19FO3S/c1-16(24)21-4-2-3-5-22(21)27(25,26)20-14-10-18(11-15-20)7-6-17-8-12-19(23)13-9-17/h2-16,24H,1H3/b7-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG receptor expressed HEK cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50320370 ((E)-2,4-difluoro-1-(4-(phenylsulfonyl)styryl)benze...) Show SMILES Fc1ccc(\C=C\c2ccc(cc2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C20H14F2O2S/c21-17-11-10-16(20(22)14-17)9-6-15-7-12-19(13-8-15)25(23,24)18-4-2-1-3-5-18/h1-14H/b9-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	4.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG receptor expressed HEK cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50169842 (1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...) Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H19F4NO2S/c20-15-3-5-17(6-4-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-2-16(21)13-18(14)22/h1-6,13H,7-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG receptor expressed HEK cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50320374 ((E)-4-(4-(2,4-difluorostyryl)phenylsulfonyl)benzam...) Show SMILES NC(=O)c1ccc(cc1)S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2F)cc1 Show InChI InChI=1S/C21H15F2NO3S/c22-17-8-5-15(20(23)13-17)4-1-14-2-9-18(10-3-14)28(26,27)19-11-6-16(7-12-19)21(24)25/h1-13H,(H2,24,25)/b4-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG receptor expressed HEK cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50320376 ((S,E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)pheny...) Show SMILES C[C@H](O)c1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C22H19FO3S/c1-16(24)21-4-2-3-5-22(21)27(25,26)20-14-10-18(11-15-20)7-6-17-8-12-19(23)13-9-17/h2-16,24H,1H3/b7-6+/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG receptor expressed HEK cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50185780 ((4-(2,4-difluorophenethyl)piperidin-1-yl)(2-fluoro...) Show SMILES Fc1ccc(CCC2CCN(CC2)C(=O)c2ccccc2F)c(F)c1 Show InChI InChI=1S/C20H20F3NO/c21-16-8-7-15(19(23)13-16)6-5-14-9-11-24(12-10-14)20(25)17-3-1-2-4-18(17)22/h1-4,7-8,13-14H,5-6,9-12H2	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& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG receptor expressed HEK cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50320378 (8-(4-(2,4-difluorophenethyl)piperidin-1-ylsulfonyl...) Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2cccc3cccnc23)c(F)c1 Show InChI InChI=1S/C22H22F2N2O2S/c23-19-9-8-17(20(24)15-19)7-6-16-10-13-26(14-11-16)29(27,28)21-5-1-3-18-4-2-12-25-22(18)21/h1-5,8-9,12,15-16H,6-7,10-11,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG receptor expressed HEK cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50320372 ((E)-2-(4-(2,4-difluorostyryl)phenylsulfonyl)benzam...) Show SMILES NC(=O)c1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2F)cc1 Show InChI InChI=1S/C21H15F2NO3S/c22-16-10-9-15(19(23)13-16)8-5-14-6-11-17(12-7-14)28(26,27)20-4-2-1-3-18(20)21(24)25/h1-13H,(H2,24,25)/b8-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG receptor expressed HEK cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50320373 ((E)-3-(4-(2,4-difluorostyryl)phenylsulfonyl)benzam...) Show SMILES NC(=O)c1cccc(c1)S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2F)cc1 Show InChI InChI=1S/C21H15F2NO3S/c22-17-9-8-15(20(23)13-17)7-4-14-5-10-18(11-6-14)28(26,27)19-3-1-2-16(12-19)21(24)25/h1-13H,(H2,24,25)/b7-4+	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& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG receptor expressed HEK cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50320371 (2,4-difluoro-1-(4-(phenylsulfonyl)phenethyl)benzen...) Show SMILES Fc1ccc(CCc2ccc(cc2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C20H16F2O2S/c21-17-11-10-16(20(22)14-17)9-6-15-7-12-19(13-8-15)25(23,24)18-4-2-1-3-5-18/h1-5,7-8,10-14H,6,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG receptor expressed HEK cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50320377 ((E)-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)me...) Show SMILES OCc1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H17FO3S/c22-19-11-7-16(8-12-19)5-6-17-9-13-20(14-10-17)26(24,25)21-4-2-1-3-18(21)15-23/h1-14,23H,15H2/b6-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair