Compile Data Set for Download or QSAR

Found 985 hits with Last Name = 'manas' and Initial = 'es'   

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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35226 ((S,S)-reboxetine | Reboxetine | Vestra) Show SMILES CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r| Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	0.300	-56.5	n/a	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35255 (2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-t...) Show SMILES CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12 |t:6| Show InChI InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.600	-54.8	n/a	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35256 ((S)-mianserin | Lerivon | MIANSERIN | MIANSERIN (+...) Show SMILES [H][C@]12CN(C)CCN1c1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35254 (2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3	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	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22417 (3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...) Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1 Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6	-48.8	n/a	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35230 (indole, 14) Show SMILES CNC[C@@H](O)[C@H](c1ccccc1)n1cc(C)c2ccccc12 |r| Show InChI InChI=1S/C19H22N2O/c1-14-13-21(17-11-7-6-10-16(14)17)19(18(22)12-20-2)15-8-4-3-5-9-15/h3-11,13,18-20,22H,12H2,1-2H3/t18-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	-47.8	n/a	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35228 (CHEMBL21731 | Dibencycladine | Ludiomil | maprotil...) Show SMILES CNCCCC12CCC(c3ccccc13)c1ccccc21 |TLB:10:9:6.7:20.15,16:15:6.7:14.9,THB:13:14:6.7:20.15,19:20:6.7:14.9| Show InChI InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	12	-47.0	n/a	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35252 (3-(phenylsulfonyl)-1H-indole, 33b) Show SMILES CC(C)NCCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H24N2O2S/c1-15(2)21-13-7-9-16-8-6-12-18-20(16)19(14-22-18)25(23,24)17-10-4-3-5-11-17/h3-6,8,10-12,14-15,21-22H,7,9,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	13	-46.8	12	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35245 (3-(phenylsulfonyl)-1H-indole, 18g) Show SMILES O=S(=O)(c1c[nH]c2cccc(CCNC3CCCC3)c12)c1ccccc1 Show InChI InChI=1S/C21H24N2O2S/c24-26(25,18-10-2-1-3-11-18)20-15-23-19-12-6-7-16(21(19)20)13-14-22-17-8-4-5-9-17/h1-3,6-7,10-12,15,17,22-23H,4-5,8-9,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35251 (3-(phenylsulfonyl)-1H-indole, 33a) Show SMILES CCN(C)CCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H24N2O2S/c1-3-22(2)14-8-10-16-9-7-13-18-20(16)19(15-21-18)25(23,24)17-11-5-4-6-12-17/h4-7,9,11-13,15,21H,3,8,10,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	21	-45.6	29	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35244 (3-(phenylsulfonyl)-1H-indole, 18f) Show SMILES CC(C)NCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H22N2O2S/c1-14(2)20-12-11-15-7-6-10-17-19(15)18(13-21-17)24(22,23)16-8-4-3-5-9-16/h3-10,13-14,20-21H,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	25	-45.1	51	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35247 (3-(phenylsulfonyl)-1H-indole, 18i) Show SMILES O=S(=O)(c1c[nH]c2cccc(CCN3CCCCC3)c12)c1ccccc1 Show InChI InChI=1S/C21H24N2O2S/c24-26(25,18-9-3-1-4-10-18)20-16-22-19-11-7-8-17(21(19)20)12-15-23-13-5-2-6-14-23/h1,3-4,7-11,16,22H,2,5-6,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	27	-44.9	47	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35232 (3-(phenylsulfonyl)-1H-indole, 18b) Show SMILES CCN(C)CCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H22N2O2S/c1-3-21(2)13-12-15-8-7-11-17-19(15)18(14-20-17)24(22,23)16-9-5-4-6-10-16/h4-11,14,20H,3,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28	-44.8	49	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35248 (3-(phenylsulfonyl)-1H-indole, 18j) Show SMILES O=S(=O)(c1c[nH]c2cccc(CCN3CCCCCC3)c12)c1ccccc1 Show InChI InChI=1S/C22H26N2O2S/c25-27(26,19-10-4-3-5-11-19)21-17-23-20-12-8-9-18(22(20)21)13-16-24-14-6-1-2-7-15-24/h3-5,8-12,17,23H,1-2,6-7,13-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	33	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35231 (3-(phenylsulfonyl)-1H-indole, 18a) Show SMILES CN(C)CCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H20N2O2S/c1-20(2)12-11-14-7-6-10-16-18(14)17(13-19-16)23(21,22)15-8-4-3-5-9-15/h3-10,13,19H,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	45	-43.6	80	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35250 (3-(phenylsulfonyl)-1H-indole, 18l) Show SMILES CC1CCCN(CCc2cccc3[nH]cc(c23)S(=O)(=O)c2ccccc2)C1 Show InChI InChI=1S/C22H26N2O2S/c1-17-7-6-13-24(16-17)14-12-18-8-5-11-20-22(18)21(15-23-20)27(25,26)19-9-3-2-4-10-19/h2-5,8-11,15,17,23H,6-7,12-14,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	46	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35247 (3-(phenylsulfonyl)-1H-indole, 18i) Show SMILES O=S(=O)(c1c[nH]c2cccc(CCN3CCCCC3)c12)c1ccccc1 Show InChI InChI=1S/C21H24N2O2S/c24-26(25,18-9-3-1-4-10-18)20-16-22-19-11-7-8-17(21(19)20)12-15-23-13-5-2-6-14-23/h1,3-4,7-11,16,22H,2,5-6,12-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	59	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35246 (3-(phenylsulfonyl)-1H-indole, 18h) Show SMILES O=S(=O)(c1c[nH]c2cccc(CCN3CCCC3)c12)c1ccccc1 Show InChI InChI=1S/C20H22N2O2S/c23-25(24,17-8-2-1-3-9-17)19-15-21-18-10-6-7-16(20(18)19)11-14-22-12-4-5-13-22/h1-3,6-10,15,21H,4-5,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	73	-42.4	128	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35242 (3-(phenylsulfonyl)-1H-indole, 18d) Show SMILES CCNCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H20N2O2S/c1-2-19-12-11-14-7-6-10-16-18(14)17(13-20-16)23(21,22)15-8-4-3-5-9-15/h3-10,13,19-20H,2,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	78	-42.2	146	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35249 (3-(phenylsulfonyl)-1H-indole, 18k) Show SMILES CC1CCCCN1CCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C22H26N2O2S/c1-17-8-5-6-14-24(17)15-13-18-9-7-12-20-22(18)21(16-23-20)27(25,26)19-10-3-2-4-11-19/h2-4,7,9-12,16-17,23H,5-6,8,13-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	89	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35244 (3-(phenylsulfonyl)-1H-indole, 18f) Show SMILES CC(C)NCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H22N2O2S/c1-14(2)20-12-11-15-7-6-10-17-19(15)18(13-21-17)24(22,23)16-8-4-3-5-9-16/h3-10,13-14,20-21H,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	110	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35246 (3-(phenylsulfonyl)-1H-indole, 18h) Show SMILES O=S(=O)(c1c[nH]c2cccc(CCN3CCCC3)c12)c1ccccc1 Show InChI InChI=1S/C20H22N2O2S/c23-25(24,17-8-2-1-3-9-17)19-15-21-18-10-6-7-16(20(18)19)11-14-22-12-4-5-13-22/h1-3,6-10,15,21H,4-5,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	117	n/a	258	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35249 (3-(phenylsulfonyl)-1H-indole, 18k) Show SMILES CC1CCCCN1CCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C22H26N2O2S/c1-17-8-5-6-14-24(17)15-13-18-9-7-12-20-22(18)21(16-23-20)27(25,26)19-10-3-2-4-11-19/h2-4,7,9-12,16-17,23H,5-6,8,13-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	125	-41.0	116	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35248 (3-(phenylsulfonyl)-1H-indole, 18j) Show SMILES O=S(=O)(c1c[nH]c2cccc(CCN3CCCCCC3)c12)c1ccccc1 Show InChI InChI=1S/C22H26N2O2S/c25-27(26,19-10-4-3-5-11-19)21-17-23-20-12-8-9-18(22(20)21)13-16-24-14-6-1-2-7-15-24/h3-5,8-12,17,23H,1-2,6-7,13-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	208	-39.7	221	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35232 (3-(phenylsulfonyl)-1H-indole, 18b) Show SMILES CCN(C)CCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H22N2O2S/c1-3-21(2)13-12-15-8-7-11-17-19(15)18(14-20-17)24(22,23)16-9-5-4-6-10-16/h4-11,14,20H,3,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	222	n/a	832	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35231 (3-(phenylsulfonyl)-1H-indole, 18a) Show SMILES CN(C)CCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H20N2O2S/c1-20(2)12-11-14-7-6-10-16-18(14)17(13-19-16)23(21,22)15-8-4-3-5-9-15/h3-10,13,19H,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	262	n/a	459	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35241 (3-(phenylsulfonyl)-1H-indole, 18c) Show SMILES CNCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H18N2O2S/c1-18-11-10-13-6-5-9-15-17(13)16(12-19-15)22(20,21)14-7-3-2-4-8-14/h2-9,12,18-19H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	273	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35241 (3-(phenylsulfonyl)-1H-indole, 18c) Show SMILES CNCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H18N2O2S/c1-18-11-10-13-6-5-9-15-17(13)16(12-19-15)22(20,21)14-7-3-2-4-8-14/h2-9,12,18-19H,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	306	-38.7	353	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35243 (3-(phenylsulfonyl)-1H-indole, 18e) Show SMILES CCCNCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H22N2O2S/c1-2-12-20-13-11-15-7-6-10-17-19(15)18(14-21-17)24(22,23)16-8-4-3-5-9-16/h3-10,14,20-21H,2,11-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	367	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35242 (3-(phenylsulfonyl)-1H-indole, 18d) Show SMILES CCNCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H20N2O2S/c1-2-19-12-11-14-7-6-10-16-18(14)17(13-20-16)23(21,22)15-8-4-3-5-9-15/h3-10,13,19-20H,2,11-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	389	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35245 (3-(phenylsulfonyl)-1H-indole, 18g) Show SMILES O=S(=O)(c1c[nH]c2cccc(CCNC3CCCC3)c12)c1ccccc1 Show InChI InChI=1S/C21H24N2O2S/c24-26(25,18-10-2-1-3-11-18)20-15-23-19-12-6-7-16(21(19)20)13-14-22-17-8-4-5-9-17/h1-3,6-7,10-12,15,17,22-23H,4-5,8-9,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	428	-37.8	460	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM35247 (3-(phenylsulfonyl)-1H-indole, 18i) Show SMILES O=S(=O)(c1c[nH]c2cccc(CCN3CCCCC3)c12)c1ccccc1 Show InChI InChI=1S/C21H24N2O2S/c24-26(25,18-9-3-1-4-10-18)20-16-22-19-11-7-8-17(21(19)20)12-15-23-13-5-2-6-14-23/h1,3-4,7-11,16,22H,2,5-6,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	434	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35243 (3-(phenylsulfonyl)-1H-indole, 18e) Show SMILES CCCNCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H22N2O2S/c1-2-12-20-13-11-15-7-6-10-17-19(15)18(14-21-17)24(22,23)16-8-4-3-5-9-16/h3-10,14,20-21H,2,11-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	487	-37.5	302	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35252 (3-(phenylsulfonyl)-1H-indole, 33b) Show SMILES CC(C)NCCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H24N2O2S/c1-15(2)21-13-7-9-16-8-6-12-18-20(16)19(14-22-18)25(23,24)17-10-4-3-5-11-17/h3-6,8,10-12,14-15,21-22H,7,9,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	619	n/a	5.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35251 (3-(phenylsulfonyl)-1H-indole, 33a) Show SMILES CCN(C)CCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H24N2O2S/c1-3-22(2)14-8-10-16-9-7-13-18-20(16)19(15-21-18)25(23,24)17-11-5-4-6-12-17/h4-7,9,11-13,15,21H,3,8,10,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	713	n/a	477	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35240 (3-(phenylsulfonyl)-1H-indole, 18m) Show SMILES NCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H16N2O2S/c17-10-9-12-5-4-8-14-16(12)15(11-18-14)21(19,20)13-6-2-1-3-7-13/h1-8,11,18H,9-10,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	792	-36.2	960	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35253 (3-(phenylsulfonyl)-1H-indole, 33c) Show SMILES O=S(=O)(c1c[nH]c2cccc(CCCN3CCCCC3)c12)c1ccccc1 Show InChI InChI=1S/C22H26N2O2S/c25-27(26,19-11-3-1-4-12-19)21-17-23-20-13-7-9-18(22(20)21)10-8-16-24-14-5-2-6-15-24/h1,3-4,7,9,11-13,17,23H,2,5-6,8,10,14-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	854	n/a	7.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35253 (3-(phenylsulfonyl)-1H-indole, 33c) Show SMILES O=S(=O)(c1c[nH]c2cccc(CCCN3CCCCC3)c12)c1ccccc1 Show InChI InChI=1S/C22H26N2O2S/c25-27(26,19-11-3-1-4-12-19)21-17-23-20-13-7-9-18(22(20)21)10-8-16-24-14-5-2-6-15-24/h1,3-4,7,9,11-13,17,23H,2,5-6,8,10,14-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.03E+3	-35.5	707	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35250 (3-(phenylsulfonyl)-1H-indole, 18l) Show SMILES CC1CCCN(CCc2cccc3[nH]cc(c23)S(=O)(=O)c2ccccc2)C1 Show InChI InChI=1S/C22H26N2O2S/c1-17-7-6-13-24(16-17)14-12-18-8-5-11-20-22(18)21(15-23-20)27(25,26)19-9-3-2-4-10-19/h2-5,8-11,15,17,23H,6-7,12-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.13E+3	-35.3	1.09E+3	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM35247 (3-(phenylsulfonyl)-1H-indole, 18i) Show SMILES O=S(=O)(c1c[nH]c2cccc(CCN3CCCCC3)c12)c1ccccc1 Show InChI InChI=1S/C21H24N2O2S/c24-26(25,18-9-3-1-4-10-18)20-16-22-19-11-7-8-17(21(19)20)12-15-23-13-5-2-6-14-23/h1,3-4,7-11,16,22H,2,5-6,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Wyeth Research					Assay Description Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50125265 (CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0350	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Lp-PLA2 in whole human plasma pre-incubated for 15 mins before 2-thio-PAF substrate addition				J Med Chem 59: 10738-10749 (2016) Article DOI: 10.1021/acs.jmedchem.6b01427 BindingDB Entry DOI: 10.7270/Q27946ND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50125265 (CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0490	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay				J Med Chem 59: 5356-67 (2016) Article DOI: 10.1021/acs.jmedchem.6b00212 BindingDB Entry DOI: 10.7270/Q2Z60R0G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50125265 (CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0490	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human Lp-PLA2 incubated for 20 mins by Thio-PAF assay				J Med Chem 59: 10738-10749 (2016) Article DOI: 10.1021/acs.jmedchem.6b01427 BindingDB Entry DOI: 10.7270/Q27946ND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50125265 (CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0490	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human Lp-PLA2 pre-incubated for 30 mins before PED6 fluorogenic substrate				J Med Chem 59: 10738-10749 (2016) Article DOI: 10.1021/acs.jmedchem.6b01427 BindingDB Entry DOI: 10.7270/Q27946ND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50125265 (CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0631	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Inhibition of human recombinant LpPLA2				ACS Med Chem Lett 8: 43-48 (2017) Article DOI: 10.1021/acsmedchemlett.6b00281 BindingDB Entry DOI: 10.7270/Q2862JFC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50205805 (Rilapladib | SB-659032) Show SMILES COCCN1CCC(CC1)N(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c(SCc2cccc(F)c2F)cc(=O)c2ccccc12 Show InChI InChI=1S/C40H38F5N3O3S/c1-51-22-21-46-19-17-32(18-20-46)47(24-27-9-11-28(12-10-27)29-13-15-31(16-14-29)40(43,44)45)37(50)25-48-35-8-3-2-6-33(35)36(49)23-38(48)52-26-30-5-4-7-34(41)39(30)42/h2-16,23,32H,17-22,24-26H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.251	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Inhibition of LpPLA2 (unknown origin)				ACS Med Chem Lett 8: 43-48 (2017) Article DOI: 10.1021/acsmedchemlett.6b00281 BindingDB Entry DOI: 10.7270/Q2862JFC
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50152609 (7-Bromo-2-(3-fluoro-4-hydroxy-phenyl)-benzofuran-5...) Show SMILES Oc1cc(Br)c2oc(cc2c1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C14H8BrFO3/c15-10-6-9(17)3-8-5-13(19-14(8)10)7-1-2-12(18)11(16)4-7/h1-6,17-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity for human Estrogen receptor beta				Bioorg Med Chem Lett 14: 4925-9 (2004) Article DOI: 10.1016/j.bmcl.2004.07.029 BindingDB Entry DOI: 10.7270/Q2TM79K8
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50205804 (CHEMBL3967156) Show SMILES CCN(CC)CCN(CC12CC(C1)(C2)c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C35H40F4N4O2S/c1-3-41(4-2)16-17-42(23-33-20-34(21-33,22-33)25-10-12-26(13-11-25)35(37,38)39)30(44)18-43-29-7-5-6-28(29)31(45)40-32(43)46-19-24-8-14-27(36)15-9-24/h8-15H,3-7,16-23H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Inhibition of human recombinant LpPLA2				ACS Med Chem Lett 8: 43-48 (2017) Article DOI: 10.1021/acsmedchemlett.6b00281 BindingDB Entry DOI: 10.7270/Q2862JFC
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50152616 (4-Bromo-2-(4-hydroxy-phenyl)-7-methoxy-benzofuran-...) Show SMILES COc1cc(O)c(Br)c2cc(oc12)-c1ccc(O)cc1 Show InChI InChI=1S/C15H11BrO4/c1-19-13-7-11(18)14(16)10-6-12(20-15(10)13)8-2-4-9(17)5-3-8/h2-7,17-18H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity for human Estrogen receptor beta				Bioorg Med Chem Lett 14: 4925-9 (2004) Article DOI: 10.1016/j.bmcl.2004.07.029 BindingDB Entry DOI: 10.7270/Q2TM79K8
					More data for this Ligand-Target Pair

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