Compile Data Set for Download or QSAR

Found 8653 hits with Last Name = 'hao' and Initial = 'h'   

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
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50375695 (CHEMBL270984) Show SMILES Cc1cc(O)cc(O)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O Show InChI InChI=1S/C43H49N5O9/c1-27-20-32(49)23-38(50)33(27)24-34(44)41(53)48-25-31-17-9-8-16-30(31)22-37(48)40(52)47-36(21-28-12-4-2-5-13-28)39(51)46-35(42(54)55)18-10-11-19-45-43(56)57-26-29-14-6-3-7-15-29/h2-9,12-17,20,23,34-37,49-50H,10-11,18-19,21-22,24-26,44H2,1H3,(H,45,56)(H,46,51)(H,47,52)(H,54,55)/t34-,35-,36-,37+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				J Med Chem 51: 1817-23 (2008) Article DOI: 10.1021/jm7014765 BindingDB Entry DOI: 10.7270/Q24T6K7K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166333 (US9067949, 190) Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C18H16ClNO4S/c1-23-17-9-13(25(21,22)12-4-2-3-11(19)7-12)8-14-15-10-20-6-5-16(15)24-18(14)17/h2-4,7-9,20H,5-6,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0500	-58.8	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50477491 (CHEMBL398034) Show SMILES Clc1cccc(Cl)c1S(=O)(=O)N1CCOc2c(cccc12)N1CCNCC1 Show InChI InChI=1S/C18H19Cl2N3O3S/c19-13-3-1-4-14(20)18(13)27(24,25)23-11-12-26-17-15(5-2-6-16(17)23)22-9-7-21-8-10-22/h1-6,21H,7-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3504-7 (2007) Article DOI: 10.1016/j.bmcl.2006.12.093 BindingDB Entry DOI: 10.7270/Q29P34FX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166213 (US9067949, 70) Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C20H18N2O4S/c1-25-19-10-14(9-15-16-11-21-6-5-18(16)26-20(15)19)27(23,24)13-2-3-17-12(8-13)4-7-22-17/h2-4,7-10,21-22H,5-6,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0830	-57.5	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM50324510 (1-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl...) Show SMILES Cc1cccc(CNCC(=O)c2cn3c(c(CN)c(C)nc3n2)-c2ccc(Cl)cc2Cl)n1 |(-4.59,-8.35,;-3.87,-6.99,;-4.69,-5.68,;-3.96,-4.31,;-2.42,-4.28,;-1.62,-5.59,;-.08,-5.54,;.65,-4.18,;2.19,-4.14,;2.92,-2.78,;2.11,-1.48,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.17,-3.27,;9.45,-1.81,;10.76,-1,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.48,-6.48,;10.83,-5.74,;-2.34,-6.93,)| Show InChI InChI=1S/C23H22Cl2N6O/c1-13-4-3-5-16(28-13)10-27-11-21(32)20-12-31-22(17-7-6-15(24)8-19(17)25)18(9-26)14(2)29-23(31)30-20/h3-8,12,27H,9-11,26H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human DPP8				J Med Chem 53: 5620-8 (2010) Article DOI: 10.1021/jm100634a BindingDB Entry DOI: 10.7270/Q2S182PX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166328 (US9067949, 185) Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1csc2ccccc12 Show InChI InChI=1S/C20H17NO4S2/c1-24-17-9-12(8-14-15-10-21-7-6-16(15)25-20(14)17)27(22,23)19-11-26-18-5-3-2-4-13(18)19/h2-5,8-9,11,21H,6-7,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	-57.1	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166358 (US9067949, 215) Show SMILES CCOc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H19NO4S/c1-2-23-18-11-14(25(21,22)13-6-4-3-5-7-13)10-15-16-12-20-9-8-17(16)24-19(15)18/h3-7,10-11,20H,2,8-9,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.110	-56.8	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166331 (US9067949, 188) Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1cc(F)cc(Cl)c1 Show InChI InChI=1S/C18H15ClFNO4S/c1-24-17-8-13(26(22,23)12-5-10(19)4-11(20)6-12)7-14-15-9-21-3-2-16(15)25-18(14)17/h4-8,21H,2-3,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.110	-56.8	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166303 (US9067949, 160) Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1cccc(OC(F)F)c1 Show InChI InChI=1S/C19H17F2NO5S/c1-25-17-9-13(8-14-15-10-22-6-5-16(15)27-18(14)17)28(23,24)12-4-2-3-11(7-12)26-19(20)21/h2-4,7-9,19,22H,5-6,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.110	-56.8	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166197 (US9067949, 54) Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H17NO4S/c1-22-17-10-13(24(20,21)12-5-3-2-4-6-12)9-14-15-11-19-8-7-16(15)23-18(14)17/h2-6,9-10,19H,7-8,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.120	-56.6	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166244 (US9067949, 101 | US9067949, 143) Show SMILES Clc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C19H15ClN2O3S/c20-16-9-13(8-14-15-10-21-5-4-18(15)25-19(14)16)26(23,24)12-1-2-17-11(7-12)3-6-22-17/h1-3,6-9,21-22H,4-5,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.130	-56.4	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166310 (US9067949, 167) Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H16F3NO4S/c1-26-17-9-13(8-14-15-10-23-6-5-16(15)27-18(14)17)28(24,25)12-4-2-3-11(7-12)19(20,21)22/h2-4,7-9,23H,5-6,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.130	-56.4	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166244 (US9067949, 101 | US9067949, 143) Show SMILES Clc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C19H15ClN2O3S/c20-16-9-13(8-14-15-10-21-5-4-18(15)25-19(14)16)26(23,24)12-1-2-17-11(7-12)3-6-22-17/h1-3,6-9,21-22H,4-5,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.130	-56.4	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166225 (US9067949, 81a | US9067949, 82a | US9067949, 82b) Show SMILES CC1NCCc2oc3c(Cl)cc(cc3c12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H16ClNO3S/c1-11-17-14-9-13(24(21,22)12-5-3-2-4-6-12)10-15(19)18(14)23-16(17)7-8-20-11/h2-6,9-11,20H,7-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.150	-56.1	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50477488 (CHEMBL394690) Show SMILES COc1cc(N2CCNCC2)c2OCCN(c2c1)S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C19H22FN3O4S/c1-26-14-12-16(22-8-6-21-7-9-22)19-17(13-14)23(10-11-27-19)28(24,25)18-5-3-2-4-15(18)20/h2-5,12-13,21H,6-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3504-7 (2007) Article DOI: 10.1016/j.bmcl.2006.12.093 BindingDB Entry DOI: 10.7270/Q29P34FX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166327 (US9067949, 184) Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1ccc2sccc2c1 Show InChI InChI=1S/C20H17NO4S2/c1-24-18-10-14(9-15-16-11-21-6-4-17(16)25-20(15)18)27(22,23)13-2-3-19-12(8-13)5-7-26-19/h2-3,5,7-10,21H,4,6,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.160	-55.9	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166326 (US9067949, 183) Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1cn(C)c2ccccc12 Show InChI InChI=1S/C21H20N2O4S/c1-23-12-20(14-5-3-4-6-17(14)23)28(24,25)13-9-15-16-11-22-8-7-18(16)27-21(15)19(10-13)26-2/h3-6,9-10,12,22H,7-8,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.160	-55.9	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166193 (US9067949, 50) Show SMILES Cn1cc(c2ccccc12)S(=O)(=O)c1cc(Cl)c2oc3CCNCc3c2c1 Show InChI InChI=1S/C20H17ClN2O3S/c1-23-11-19(13-4-2-3-5-17(13)23)27(24,25)12-8-14-15-10-22-7-6-18(15)26-20(14)16(21)9-12/h2-5,8-9,11,22H,6-7,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.170	-55.8	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166335 (US9067949, 192) Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1cccs1 Show InChI InChI=1S/C16H15NO4S2/c1-20-14-8-10(23(18,19)15-3-2-6-22-15)7-11-12-9-17-5-4-13(12)21-16(11)14/h2-3,6-8,17H,4-5,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.170	-55.8	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50375694 (CHEMBL244265) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCC[C@H](NC(=O)c1ccc(F)cc1)C(O)=O Show InChI InChI=1S/C34H39FN4O6/c1-20-15-26(40)16-21(2)27(20)18-28(36)33(43)39-19-24-8-4-3-7-23(24)17-30(39)32(42)37-14-6-5-9-29(34(44)45)38-31(41)22-10-12-25(35)13-11-22/h3-4,7-8,10-13,15-16,28-30,40H,5-6,9,14,17-19,36H2,1-2H3,(H,37,42)(H,38,41)(H,44,45)/t28-,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.172	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				J Med Chem 51: 1817-23 (2008) Article DOI: 10.1021/jm7014765 BindingDB Entry DOI: 10.7270/Q24T6K7K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166306 (US9067949, 163) Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C18H16FNO4S/c1-23-16-9-11(25(21,22)17-5-3-2-4-14(17)19)8-12-13-10-20-7-6-15(13)24-18(12)16/h2-5,8-9,20H,6-7,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.190	-55.5	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50324512 (6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...) Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCCc1ccccn1 |(10.76,-1,;9.45,-1.81,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.17,-3.27,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.48,-6.48,;10.83,-5.74,;2.92,-2.78,;2.11,-1.48,;2.19,-4.14,;.65,-4.18,;-.08,-5.54,;-1.62,-5.59,;-2.34,-6.93,;-3.87,-6.99,;-4.69,-5.68,;-3.96,-4.31,;-2.42,-4.28,)| Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(11-25)20(16-6-5-14(23)10-18(16)24)30-12-19(29-22(30)28-13)21(31)27-9-7-15-4-2-3-8-26-15/h2-6,8,10,12H,7,9,11,25H2,1H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human DPP9				J Med Chem 53: 5620-8 (2010) Article DOI: 10.1021/jm100634a BindingDB Entry DOI: 10.7270/Q2S182PX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166311 (US9067949, 168) Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C19H16F3NO5S/c1-26-17-9-13(8-14-15-10-23-6-5-16(15)27-18(14)17)29(24,25)12-4-2-3-11(7-12)28-19(20,21)22/h2-4,7-9,23H,5-6,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.190	-55.5	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM17689 (2-aminobenzimidazole, 14 | N-{4-chloro-3-[(4-methy...) Show SMILES COc1cc2nccc(Oc3ccc4nc(Nc5ccc(Cl)c(CN6CCN(C)CC6)c5)[nH]c4c3)c2cc1OC Show InChI InChI=1S/C30H31ClN6O3/c1-36-10-12-37(13-11-36)18-19-14-20(4-6-23(19)31)33-30-34-24-7-5-21(15-26(24)35-30)40-27-8-9-32-25-17-29(39-3)28(38-2)16-22(25)27/h4-9,14-17H,10-13,18H2,1-3H3,(H2,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	-54.8	n/a	n/a	n/a	n/a	n/a	7.5	22
Amgen					Assay Description The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...				J Med Chem 50: 4351-4373 (2007) Article DOI: 10.1021/jm070034i BindingDB Entry DOI: 10.7270/Q21V5C74
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50425006 (CHEMBL2312187) Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N Show InChI InChI=1S/C16H15N7O2S2/c1-9-14(26-16(19-2)21-9)13-10(7-17)8-20-15(23-13)22-11-3-5-12(6-4-11)27(18,24)25/h3-6,8H,1-2H3,(H,19,21)(H2,18,24,25)(H,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia 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
University of Oxford Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay				J Med Chem 56: 660-70 (2013) Article DOI: 10.1021/jm301495v BindingDB Entry DOI: 10.7270/Q28G8N18
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50324523 (CHEMBL1215018 | N-((3S)-1-(6-(aminomethyl)-5-(2,4-...) Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H](C1)NS(C)(=O)=O |r,wD:25.30,(7.23,-5.85,;5.92,-6.66,;4.56,-5.95,;3.26,-6.75,;1.79,-6.32,;.92,-7.59,;1.87,-8.81,;3.31,-8.29,;4.66,-9.02,;5.97,-8.21,;7.33,-8.93,;8.64,-8.12,;4.63,-10.55,;3.28,-11.29,;3.25,-12.83,;4.57,-13.63,;4.54,-15.17,;5.92,-12.87,;5.95,-11.34,;7.29,-10.6,;-.62,-7.63,;-1.43,-6.33,;-1.34,-8.99,;-.88,-10.46,;-2.12,-11.36,;-3.37,-10.46,;-2.89,-8.99,;-4.91,-10.48,;-5.99,-9.37,;-7.4,-10.02,;-6.68,-7.99,;-4.84,-8.35,)| Show InChI InChI=1S/C20H22Cl2N6O3S/c1-11-15(8-23)18(14-4-3-12(21)7-16(14)22)28-10-17(25-20(28)24-11)19(29)27-6-5-13(9-27)26-32(2,30)31/h3-4,7,10,13,26H,5-6,8-9,23H2,1-2H3/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage				J Med Chem 53: 5620-8 (2010) Article DOI: 10.1021/jm100634a BindingDB Entry DOI: 10.7270/Q2S182PX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166309 (US9067949, 166) Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C18H16FNO4S/c1-23-17-9-13(25(21,22)12-4-2-3-11(19)7-12)8-14-15-10-20-6-5-16(15)24-18(14)17/h2-4,7-9,20H,5-6,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.200	-55.4	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166194 (US9067949, 51) Show SMILES Clc1cc(cc2c3CNCCc3oc12)S(=O)(=O)n1ccc2ccccc12 Show InChI InChI=1S/C19H15ClN2O3S/c20-16-10-13(9-14-15-11-21-7-5-18(15)25-19(14)16)26(23,24)22-8-6-12-3-1-2-4-17(12)22/h1-4,6,8-10,21H,5,7,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.200	-55.4	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166344 (US9067949, 201) Show SMILES Cc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H16F3NO3S/c1-11-7-14(9-15-16-10-23-6-5-17(16)26-18(11)15)27(24,25)13-4-2-3-12(8-13)19(20,21)22/h2-4,7-9,23H,5-6,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.220	-55.1	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166196 (US9067949, 53) Show SMILES Cc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H17NO3S/c1-12-9-14(23(20,21)13-5-3-2-4-6-13)10-15-16-11-19-8-7-17(16)22-18(12)15/h2-6,9-10,19H,7-8,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.220	-55.1	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166347 (US9067949, 204) Show SMILES Cc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1ccc2sccc2c1 Show InChI InChI=1S/C20H17NO3S2/c1-12-8-15(10-16-17-11-21-6-4-18(17)24-20(12)16)26(22,23)14-2-3-19-13(9-14)5-7-25-19/h2-3,5,7-10,21H,4,6,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.230	-55.0	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166334 (US9067949, 191) Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C18H15Cl2NO4S/c1-24-17-8-13(26(22,23)12-5-10(19)4-11(20)6-12)7-14-15-9-21-3-2-16(15)25-18(14)17/h4-8,21H,2-3,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.230	-55.0	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50260806 (CHEMBL497557 | N-(1-(6-(3-chloropyridin-4-yl)-5-(4...) Show SMILES CC(C)C(=O)NC1CCN(CC1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccncc1Cl Show InChI InChI=1S/C25H25ClF3N5O/c1-15(2)24(35)32-18-8-11-34(12-9-18)21-14-31-22(16-3-5-17(6-4-16)25(27,28)29)23(33-21)19-7-10-30-13-20(19)26/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,32,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50375696 (CHEMBL269842) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)c1ccc(F)cc1)C(O)=O Show InChI InChI=1S/C43H48FN5O7/c1-26-20-33(50)21-27(2)34(26)24-35(45)42(54)49-25-31-13-7-6-12-30(31)23-38(49)41(53)48-37(22-28-10-4-3-5-11-28)40(52)47-36(43(55)56)14-8-9-19-46-39(51)29-15-17-32(44)18-16-29/h3-7,10-13,15-18,20-21,35-38,50H,8-9,14,19,22-25,45H2,1-2H3,(H,46,51)(H,47,52)(H,48,53)(H,55,56)/t35-,36-,37-,38+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.248	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				J Med Chem 51: 1817-23 (2008) Article DOI: 10.1021/jm7014765 BindingDB Entry DOI: 10.7270/Q24T6K7K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166233 (US9067949, 90) Show SMILES Clc1cc(cc2c3CCNCCc3oc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H16ClNO3S/c19-16-11-13(24(21,22)12-4-2-1-3-5-12)10-15-14-6-8-20-9-7-17(14)23-18(15)16/h1-5,10-11,20H,6-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.25	-54.8	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166276 (US9067949, 133) Show SMILES Clc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1csc2ccccc12 Show InChI InChI=1S/C19H14ClNO3S2/c20-15-8-11(7-13-14-9-21-6-5-16(14)24-19(13)15)26(22,23)18-10-25-17-4-2-1-3-12(17)18/h1-4,7-8,10,21H,5-6,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.260	-54.7	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM50324512 (6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...) Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCCc1ccccn1 |(10.76,-1,;9.45,-1.81,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.17,-3.27,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.48,-6.48,;10.83,-5.74,;2.92,-2.78,;2.11,-1.48,;2.19,-4.14,;.65,-4.18,;-.08,-5.54,;-1.62,-5.59,;-2.34,-6.93,;-3.87,-6.99,;-4.69,-5.68,;-3.96,-4.31,;-2.42,-4.28,)| Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(11-25)20(16-6-5-14(23)10-18(16)24)30-12-19(29-22(30)28-13)21(31)27-9-7-15-4-2-3-8-26-15/h2-6,8,10,12H,7,9,11,25H2,1H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human DPP8				J Med Chem 53: 5620-8 (2010) Article DOI: 10.1021/jm100634a BindingDB Entry DOI: 10.7270/Q2S182PX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166330 (US9067949, 187) Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1ccsc1 Show InChI InChI=1S/C16H15NO4S2/c1-20-15-7-11(23(18,19)10-3-5-22-9-10)6-12-13-8-17-4-2-14(13)21-16(12)15/h3,5-7,9,17H,2,4,8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.270	-54.6	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166332 (US9067949, 189) Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H16ClNO4S/c1-23-17-9-13(25(21,22)12-4-2-11(19)3-5-12)8-14-15-10-20-7-6-16(15)24-18(14)17/h2-5,8-9,20H,6-7,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.280	-54.5	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50324510 (1-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl...) Show SMILES Cc1cccc(CNCC(=O)c2cn3c(c(CN)c(C)nc3n2)-c2ccc(Cl)cc2Cl)n1 |(-4.59,-8.35,;-3.87,-6.99,;-4.69,-5.68,;-3.96,-4.31,;-2.42,-4.28,;-1.62,-5.59,;-.08,-5.54,;.65,-4.18,;2.19,-4.14,;2.92,-2.78,;2.11,-1.48,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.17,-3.27,;9.45,-1.81,;10.76,-1,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.48,-6.48,;10.83,-5.74,;-2.34,-6.93,)| Show InChI InChI=1S/C23H22Cl2N6O/c1-13-4-3-5-16(28-13)10-27-11-21(32)20-12-31-22(17-7-6-15(24)8-19(17)25)18(9-26)14(2)29-23(31)30-20/h3-8,12,27H,9-11,26H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human DPP9				J Med Chem 53: 5620-8 (2010) Article DOI: 10.1021/jm100634a BindingDB Entry DOI: 10.7270/Q2S182PX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166338 (US9067949, 195) Show SMILES Cc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C18H16ClNO3S/c1-11-7-14(24(21,22)13-4-2-3-12(19)8-13)9-15-16-10-20-6-5-17(16)23-18(11)15/h2-4,7-9,20H,5-6,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.280	-54.5	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50235631 (CHEMBL4060827) Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)C1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C27H35FN4O/c1-19(33)30-13-15-31(16-14-30)22-10-7-20(8-11-22)23-17-32(18-26(23)29(2)3)25-12-9-21-5-4-6-24(28)27(21)25/h4-8,10-11,23,25-26H,9,12-18H2,1-3H3/t23-,25?,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay				Bioorg Med Chem Lett 27: 1576-1583 (2017) Article DOI: 10.1016/j.bmcl.2017.02.030 BindingDB Entry DOI: 10.7270/Q22F7QQG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166345 (US9067949, 202) Show SMILES Cc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1cccc(OC(F)F)c1 Show InChI InChI=1S/C19H17F2NO4S/c1-11-7-14(9-15-16-10-22-6-5-17(16)26-18(11)15)27(23,24)13-4-2-3-12(8-13)25-19(20)21/h2-4,7-9,19,22H,5-6,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	-54.4	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50324511 (6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...) Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCCc1cccnc1 |(10.76,-1,;9.45,-1.81,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.18,-3.27,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.49,-6.48,;10.83,-5.74,;2.92,-2.78,;2.11,-1.48,;2.19,-4.14,;.65,-4.18,;-.08,-5.54,;-1.62,-5.59,;-2.34,-6.94,;-3.87,-6.99,;-4.69,-5.68,;-3.96,-4.32,;-2.42,-4.28,)| Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(10-25)20(16-5-4-15(23)9-18(16)24)30-12-19(29-22(30)28-13)21(31)27-8-6-14-3-2-7-26-11-14/h2-5,7,9,11-12H,6,8,10,25H2,1H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human DPP9				J Med Chem 53: 5620-8 (2010) Article DOI: 10.1021/jm100634a BindingDB Entry DOI: 10.7270/Q2S182PX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50324525 (6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethy...) Show SMILES CN(CCS(C)(=O)=O)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(2.96,-5.01,;2.15,-3.7,;.61,-3.75,;-.19,-2.43,;-1.73,-2.48,;-2.54,-1.17,;-3.23,-2.88,;-1.74,-4.02,;2.88,-2.34,;2.07,-1.03,;4.42,-2.29,;5.36,-3.51,;6.81,-2.99,;8.16,-3.72,;9.47,-2.91,;10.83,-3.64,;12.13,-2.83,;9.42,-1.37,;10.73,-.55,;8.06,-.65,;6.76,-1.46,;5.29,-1.03,;8.13,-5.25,;6.78,-5.99,;6.75,-7.53,;8.07,-8.33,;8.04,-9.87,;9.42,-7.58,;9.44,-6.05,;10.79,-5.3,)| Show InChI InChI=1S/C19H21Cl2N5O3S/c1-11-14(9-22)17(13-5-4-12(20)8-15(13)21)26-10-16(24-19(26)23-11)18(27)25(2)6-7-30(3,28)29/h4-5,8,10H,6-7,9,22H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage				J Med Chem 53: 5620-8 (2010) Article DOI: 10.1021/jm100634a BindingDB Entry DOI: 10.7270/Q2S182PX
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50235630 (CHEMBL4093096) Show SMILES CN(C)[C@H]1CC(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C27H36FN3O2S/c1-29(2)26-18-21(23-12-9-20-5-4-6-25(28)27(20)23)17-24(26)19-7-10-22(11-8-19)30-13-15-31(16-14-30)34(3,32)33/h4-8,10-11,21,23-24,26H,9,12-18H2,1-3H3/t21?,23?,24-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay				Bioorg Med Chem Lett 27: 1576-1583 (2017) Article DOI: 10.1016/j.bmcl.2017.02.030 BindingDB Entry DOI: 10.7270/Q22F7QQG
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at rat CB1 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50477473 (CHEMBL246918) Show SMILES CC1(C)CN(c2cccc(N3CCNCC3)c2O1)S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C20H24FN3O3S/c1-20(2)14-24(28(25,26)18-9-4-3-6-15(18)21)17-8-5-7-16(19(17)27-20)23-12-10-22-11-13-23/h3-9,22H,10-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3504-7 (2007) Article DOI: 10.1016/j.bmcl.2006.12.093 BindingDB Entry DOI: 10.7270/Q29P34FX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166321 (US9067949, 178) Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1cccc(c1)C(O)C(F)(F)F Show InChI InChI=1S/C20H18F3NO5S/c1-28-17-9-13(8-14-15-10-24-6-5-16(15)29-18(14)17)30(26,27)12-4-2-3-11(7-12)19(25)20(21,22)23/h2-4,7-9,19,24-25H,5-6,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.320	-54.2	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166304 (US9067949, 161) Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C18H15F2NO4S/c1-24-17-8-11(26(22,23)10-2-3-14(19)15(20)7-10)6-12-13-9-21-5-4-16(13)25-18(12)17/h2-3,6-8,21H,4-5,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.320	-54.2	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair

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