Compile Data Set for Download or QSAR

Found 2564 hits with Last Name = 'alker' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50266003 (CHEMBL4091152) Show SMILES C[C@@H](Oc1cc2onc(CCC(O)=O)c2cc1Cl)c1ccccn1 |r| Show InChI InChI=1S/C17H15ClN2O4/c1-10(13-4-2-3-7-19-13)23-16-9-15-11(8-12(16)18)14(20-24-15)5-6-17(21)22/h2-4,7-10H,5-6H2,1H3,(H,21,22)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Competitive inhibition of full length human GST-tagged KMO expressed in baculovirus infected Sf9 insect cell membranes using kynurenine as substrate ...				J Med Chem 60: 3383-3404 (2017) Article DOI: 10.1021/acs.jmedchem.7b00055 BindingDB Entry DOI: 10.7270/Q26112SB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50415991 (CHEMBL1084794) Show SMILES NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C19H20N2O2S/c20-11-14-5-3-4-13-10-15(8-9-16(13)14)24(22,23)19-12-21-18-7-2-1-6-17(18)19/h1-2,6-10,12,14,21H,3-5,11,20H2/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50415975 (CHEMBL1085462) Show SMILES CN(C)CC1CCCc2cc(ccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H23NO2S/c1-20(2)14-16-8-6-7-15-13-18(11-12-19(15)16)23(21,22)17-9-4-3-5-10-17/h3-5,9-13,16H,6-8,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50415981 (CHEMBL1086326) Show SMILES NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C17H18FNO2S/c18-14-5-2-6-15(10-14)22(20,21)16-7-8-17-12(9-16)3-1-4-13(17)11-19/h2,5-10,13H,1,3-4,11,19H2/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50416015 (CHEMBL1086113) Show SMILES Oc1c[nH]c(NC[C@@H]2CCCc3cc(ccc23)S(=O)(=O)c2cccc(F)c2)n1 |r| Show InChI InChI=1S/C20H20FN3O3S/c21-15-5-2-6-16(10-15)28(26,27)17-7-8-18-13(9-17)3-1-4-14(18)11-22-20-23-12-19(25)24-20/h2,5-10,12,14,25H,1,3-4,11H2,(H2,22,23,24)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50266041 (CHEMBL4070212) Show SMILES C[C@@H](Oc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl)c1ccccn1 |r| Show InChI InChI=1S/C17H15ClN2O5/c1-10(12-4-2-3-6-19-12)24-14-9-15-13(8-11(14)18)20(17(23)25-15)7-5-16(21)22/h2-4,6,8-10H,5,7H2,1H3,(H,21,22)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged KMO expressed in baculovirus infected Sf9 insect cell membranes using kynurenine as substrate measured aft...				J Med Chem 60: 3383-3404 (2017) Article DOI: 10.1021/acs.jmedchem.7b00055 BindingDB Entry DOI: 10.7270/Q26112SB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50416007 (CHEMBL1085120) Show SMILES OCC(=O)NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C19H20FNO4S/c20-15-5-2-6-16(10-15)26(24,25)17-7-8-18-13(9-17)3-1-4-14(18)11-21-19(23)12-22/h2,5-10,14,22H,1,3-4,11-12H2,(H,21,23)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50416028 (CHEMBL1085658) Show SMILES OC1CN(C[C@@H]2CCCc3cc(ccc23)S(=O)(=O)c2cccc(F)c2)C1 |r| Show InChI InChI=1S/C20H22FNO3S/c21-16-5-2-6-18(10-16)26(24,25)19-7-8-20-14(9-19)3-1-4-15(20)11-22-12-17(23)13-22/h2,5-10,15,17,23H,1,3-4,11-13H2/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50415993 (CHEMBL1086252) Show SMILES NC(=O)CNC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C19H21FN2O3S/c20-15-5-2-6-16(10-15)26(24,25)17-7-8-18-13(9-17)3-1-4-14(18)11-22-12-19(21)23/h2,5-10,14,22H,1,3-4,11-12H2,(H2,21,23)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50415996 (CHEMBL1085037) Show SMILES OCCNC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C19H22FNO3S/c20-16-5-2-6-17(12-16)25(23,24)18-7-8-19-14(11-18)3-1-4-15(19)13-21-9-10-22/h2,5-8,11-12,15,21-22H,1,3-4,9-10,13H2/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50416012 (CHEMBL1084711) Show SMILES NS(=O)(=O)NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C17H19FN2O4S2/c18-14-5-2-6-15(10-14)25(21,22)16-7-8-17-12(9-16)3-1-4-13(17)11-20-26(19,23)24/h2,5-10,13,20H,1,3-4,11H2,(H2,19,23,24)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50416006 (CHEMBL1083886) Show SMILES CC(=O)NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C19H20FNO3S/c1-13(22)21-12-15-5-2-4-14-10-18(8-9-19(14)15)25(23,24)17-7-3-6-16(20)11-17/h3,6-11,15H,2,4-5,12H2,1H3,(H,21,22)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50416000 (CHEMBL1085585) Show SMILES CNCC(=O)NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C20H23FN2O3S/c1-22-13-20(24)23-12-15-5-2-4-14-10-18(8-9-19(14)15)27(25,26)17-7-3-6-16(21)11-17/h3,6-11,15,22H,2,4-5,12-13H2,1H3,(H,23,24)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50415972 (CHEMBL1086079) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-1-[#6]-[#6]-[#6]-c2cc(ccc-12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H21N3O2S/c19-18(20)21-12-14-6-4-5-13-11-16(9-10-17(13)14)24(22,23)15-7-2-1-3-8-15/h1-3,7-11,14H,4-6,12H2,(H4,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50415987 (CHEMBL1085617) Show SMILES CNC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cc[nH]c1 |r| Show InChI InChI=1S/C16H20N2O2S/c1-17-10-13-4-2-3-12-9-14(5-6-16(12)13)21(19,20)15-7-8-18-11-15/h5-9,11,13,17-18H,2-4,10H2,1H3/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50415978 (CHEMBL1086323) Show SMILES NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C17H19NO2S/c18-12-14-6-4-5-13-11-16(9-10-17(13)14)21(19,20)15-7-2-1-3-8-15/h1-3,7-11,14H,4-6,12,18H2/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50416019 (CHEMBL1084336) Show SMILES OCCNC[C@@H]1CCCc2cc(cc(F)c12)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C19H21F2NO3S/c20-15-5-2-6-16(10-15)26(24,25)17-9-13-3-1-4-14(12-22-7-8-23)19(13)18(21)11-17/h2,5-6,9-11,14,22-23H,1,3-4,7-8,12H2/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50416003 (CHEMBL1082508) Show SMILES NC(=O)NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C18H19FN2O3S/c19-14-5-2-6-15(10-14)25(23,24)16-7-8-17-12(9-16)3-1-4-13(17)11-21-18(20)22/h2,5-10,13H,1,3-4,11H2,(H3,20,21,22)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50416029 (CHEMBL1084603) Show SMILES NC(=O)NC[C@@H]1CCCc2cc(cc(F)c12)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C18H18F2N2O3S/c19-13-5-2-6-14(8-13)26(24,25)15-7-11-3-1-4-12(10-22-18(21)23)17(11)16(20)9-15/h2,5-9,12H,1,3-4,10H2,(H3,21,22,23)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50416010 (CHEMBL1083781) Show SMILES CS(=O)(=O)NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C18H20FNO4S2/c1-25(21,22)20-12-14-5-2-4-13-10-17(8-9-18(13)14)26(23,24)16-7-3-6-15(19)11-16/h3,6-11,14,20H,2,4-5,12H2,1H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50415979 (CHEMBL1086324) Show SMILES NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(O)c1 |r| Show InChI InChI=1S/C17H19NO3S/c18-11-13-4-1-3-12-9-16(7-8-17(12)13)22(20,21)15-6-2-5-14(19)10-15/h2,5-10,13,19H,1,3-4,11,18H2/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50415997 (CHEMBL1085038) Show SMILES COCCNC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C20H24FNO3S/c1-25-11-10-22-14-16-5-2-4-15-12-19(8-9-20(15)16)26(23,24)18-7-3-6-17(21)13-18/h3,6-9,12-13,16,22H,2,4-5,10-11,14H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50416031 (CHEMBL1084604) Show SMILES OCC(=O)NC[C@@H]1CCCc2cc(cc(F)c12)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C19H19F2NO4S/c20-14-5-2-6-15(8-14)27(25,26)16-7-12-3-1-4-13(10-22-18(24)11-23)19(12)17(21)9-16/h2,5-9,13,23H,1,3-4,10-11H2,(H,22,24)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50415999 (CHEMBL1086477) Show SMILES NCC(=O)NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C19H21FN2O3S/c20-15-5-2-6-16(10-15)26(24,25)17-7-8-18-13(9-17)3-1-4-14(18)12-22-19(23)11-21/h2,5-10,14H,1,3-4,11-12,21H2,(H,22,23)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50416030 (CHEMBL1082777) Show SMILES CC(=O)NC[C@@H]1CCCc2cc(cc(F)c12)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H20FNO3S/c1-13(22)21-12-15-7-5-6-14-10-17(11-18(20)19(14)15)25(23,24)16-8-3-2-4-9-16/h2-4,8-11,15H,5-7,12H2,1H3,(H,21,22)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50415986 (CHEMBL1085372) Show SMILES NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cc[nH]c1 |r| Show InChI InChI=1S/C15H18N2O2S/c16-9-12-3-1-2-11-8-13(4-5-15(11)12)20(18,19)14-6-7-17-10-14/h4-8,10,12,17H,1-3,9,16H2/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50415974 (CHEMBL1085111) Show SMILES CNCC1CCCc2cc(ccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H21NO2S/c1-19-13-15-7-5-6-14-12-17(10-11-18(14)15)22(20,21)16-8-3-2-4-9-16/h2-4,8-12,15,19H,5-7,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50416020 (CHEMBL1082509) Show SMILES CNC(=O)NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C19H21FN2O3S/c1-21-19(23)22-12-14-5-2-4-13-10-17(8-9-18(13)14)26(24,25)16-7-3-6-15(20)11-16/h3,6-11,14H,2,4-5,12H2,1H3,(H2,21,22,23)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50416024 (CHEMBL1083782) Show SMILES CN(C[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1)S(C)(=O)=O |r| Show InChI InChI=1S/C19H22FNO4S2/c1-21(26(2,22)23)13-15-6-3-5-14-11-18(9-10-19(14)15)27(24,25)17-8-4-7-16(20)12-17/h4,7-12,15H,3,5-6,13H2,1-2H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50416001 (CHEMBL1084071) Show SMILES CN(C)CC(=O)NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C21H25FN2O3S/c1-24(2)14-21(25)23-13-16-6-3-5-15-11-19(9-10-20(15)16)28(26,27)18-8-4-7-17(22)12-18/h4,7-12,16H,3,5-6,13-14H2,1-2H3,(H,23,25)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50415980 (CHEMBL1086325) Show SMILES COc1cccc(c1)S(=O)(=O)c1ccc2[C@H](CN)CCCc2c1 |r| Show InChI InChI=1S/C18H21NO3S/c1-22-15-6-3-7-16(11-15)23(20,21)17-8-9-18-13(10-17)4-2-5-14(18)12-19/h3,6-11,14H,2,4-5,12,19H2,1H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50415983 (CHEMBL1085368) Show SMILES N=C[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(c1)C#N |r| Show InChI InChI=1S/C18H16N2O2S/c19-11-13-3-1-6-16(9-13)23(21,22)17-7-8-18-14(10-17)4-2-5-15(18)12-20/h1,3,6-10,12,15,20H,2,4-5H2/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50318924 (2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1C[C@@H](O)C[C@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O3/c1-27(2,16-8-17(28(31,32)33)10-18(9-16)29(34,35)36)26(42)38(3)24-13-37-25(39-14-20(41)11-19(39)15-40)12-22(24)21-6-4-5-7-23(21)30/h4-10,12-13,19-20,40-41H,11,14-15H2,1-3H3/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 3405-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.008 BindingDB Entry DOI: 10.7270/Q2S75GHK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50263211 (2-Cyclobutylamino-N-[4'-(cyclopropylmethyl-carbamo...) Show SMILES Cc1ccc(NC(=O)c2ccnc(NC3CCC3)c2)cc1-c1ccc(cc1)C(=O)NCC1CC1 Show InChI InChI=1S/C28H30N4O2/c1-18-5-12-24(32-28(34)22-13-14-29-26(15-22)31-23-3-2-4-23)16-25(18)20-8-10-21(11-9-20)27(33)30-17-19-6-7-19/h5,8-16,19,23H,2-4,6-7,17H2,1H3,(H,29,31)(H,30,33)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...				Bioorg Med Chem Lett 18: 4433-7 (2008) Article DOI: 10.1016/j.bmcl.2008.06.028 BindingDB Entry DOI: 10.7270/Q2JH3M0B
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50318925 (2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1C[C@H](O)C[C@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O3/c1-27(2,16-8-17(28(31,32)33)10-18(9-16)29(34,35)36)26(42)38(3)24-13-37-25(39-14-20(41)11-19(39)15-40)12-22(24)21-6-4-5-7-23(21)30/h4-10,12-13,19-20,40-41H,11,14-15H2,1-3H3/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 3405-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.008 BindingDB Entry DOI: 10.7270/Q2S75GHK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50415977 (CHEMBL1085113) Show SMILES NC(=O)NCC1CCCc2cc(ccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H20N2O3S/c19-18(21)20-12-14-6-4-5-13-11-16(9-10-17(13)14)24(22,23)15-7-2-1-3-8-15/h1-3,7-11,14H,4-6,12H2,(H3,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50416002 (CHEMBL1083575) Show SMILES NC(=N)NC(=O)C[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C19H20FN3O3S/c20-14-5-2-6-15(11-14)27(25,26)16-7-8-17-12(9-16)3-1-4-13(17)10-18(24)23-19(21)22/h2,5-9,11,13H,1,3-4,10H2,(H4,21,22,23,24)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50415973 (CHEMBL1086080) Show SMILES CC(N)=NCC1CCCc2cc(ccc12)S(=O)(=O)c1ccccc1 |w:3.3| Show InChI InChI=1S/C19H22N2O2S/c1-14(20)21-13-16-7-5-6-15-12-18(10-11-19(15)16)24(22,23)17-8-3-2-4-9-17/h2-4,8-12,16H,5-7,13H2,1H3,(H2,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50416017 (CHEMBL1085651) Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2[C@H](CNC(=O)[C@H]3CCCN3)CCCc2c1 |r| Show InChI InChI=1S/C22H25FN2O3S/c23-17-6-2-7-18(13-17)29(27,28)19-9-10-20-15(12-19)4-1-5-16(20)14-25-22(26)21-8-3-11-24-21/h2,6-7,9-10,12-13,16,21,24H,1,3-5,8,11,14H2,(H,25,26)/t16-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50156552 (4-(2-((R)-2-((S,E)-3-hydroxy-4-(3-(methoxymethyl)p...) Show SMILES COCc1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCc2ccc(cc2)C(O)=O)c1 |r| Show InChI InChI=1S/C25H29NO5/c1-31-17-20-4-2-3-19(15-20)16-23(27)11-9-22-10-12-24(28)26(22)14-13-18-5-7-21(8-6-18)25(29)30/h2-9,11,15,22-23,27H,10,12-14,16-17H2,1H3,(H,29,30)/b11-9+/t22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Binding affinity to human EP4 receptor				J Med Chem 47: 6124-7 (2004) Article DOI: 10.1021/jm049290a BindingDB Entry DOI: 10.7270/Q2P84BBQ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50318922 (2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CCC[C@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O2/c1-27(2,17-11-18(28(31,32)33)13-19(12-17)29(34,35)36)26(41)38(3)24-15-37-25(39-10-6-7-20(39)16-40)14-22(24)21-8-4-5-9-23(21)30/h4-5,8-9,11-15,20,40H,6-7,10,16H2,1-3H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells				Bioorg Med Chem Lett 20: 3405-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.008 BindingDB Entry DOI: 10.7270/Q2S75GHK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50318930 (2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...) Show SMILES CN(CCO)c1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1Cl Show InChI InChI=1S/C27H26ClF6N3O2/c1-25(2,16-11-17(26(29,30)31)13-18(12-16)27(32,33)34)24(39)37(4)22-15-35-23(36(3)9-10-38)14-20(22)19-7-5-6-8-21(19)28/h5-8,11-15,38H,9-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 3405-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.008 BindingDB Entry DOI: 10.7270/Q2S75GHK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50416008 (CHEMBL1084358) Show SMILES COCC(=O)NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C20H22FNO4S/c1-26-13-20(23)22-12-15-5-2-4-14-10-18(8-9-19(14)15)27(24,25)17-7-3-6-16(21)11-17/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,22,23)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50415990 (CHEMBL1084793) Show SMILES NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cncs1 |r| Show InChI InChI=1S/C14H16N2O2S2/c15-7-11-3-1-2-10-6-12(4-5-13(10)11)20(17,18)14-8-16-9-19-14/h4-6,8-9,11H,1-3,7,15H2/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [3H]LSD form human recombinant 5HT6 receptor				Bioorg Med Chem Lett 20: 3436-40 (2010) Article DOI: 10.1016/j.bmcl.2010.03.110 BindingDB Entry DOI: 10.7270/Q2GX4CT3
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50318919 (2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CC[C@H](O)C1 |r| Show InChI InChI=1S/C28H26ClF6N3O2/c1-26(2,16-10-17(27(30,31)32)12-18(11-16)28(33,34)35)25(40)37(3)23-14-36-24(38-9-8-19(39)15-38)13-21(23)20-6-4-5-7-22(20)29/h4-7,10-14,19,39H,8-9,15H2,1-3H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 3405-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.008 BindingDB Entry DOI: 10.7270/Q2S75GHK
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50318915 (CHEMBL1082737 | N-(6-(bis(2-hydroxyethyl)amino)-4-...) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N(CCO)CCO Show InChI InChI=1S/C28H28ClF6N3O3/c1-26(2,17-12-18(27(30,31)32)14-19(13-17)28(33,34)35)25(41)37(3)23-16-36-24(38(8-10-39)9-11-40)15-21(23)20-6-4-5-7-22(20)29/h4-7,12-16,39-40H,8-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells				Bioorg Med Chem Lett 20: 3405-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.008 BindingDB Entry DOI: 10.7270/Q2S75GHK
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50318927 (2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CC[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O3/c1-27(2,16-10-17(28(31,32)33)12-18(11-16)29(34,35)36)26(42)38(3)22-14-37-25(39-9-8-24(41)23(39)15-40)13-20(22)19-6-4-5-7-21(19)30/h4-7,10-14,23-24,40-41H,8-9,15H2,1-3H3/t23-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells				Bioorg Med Chem Lett 20: 3405-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.008 BindingDB Entry DOI: 10.7270/Q2S75GHK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50318926 (2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...) Show SMILES COC[C@@H]1C[C@H](CN1c1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1Cl)OC |r| Show InChI InChI=1S/C31H32ClF6N3O3/c1-29(2,18-10-19(30(33,34)35)12-20(11-18)31(36,37)38)28(42)40(3)26-15-39-27(14-24(26)23-8-6-7-9-25(23)32)41-16-22(44-5)13-21(41)17-43-4/h6-12,14-15,21-22H,13,16-17H2,1-5H3/t21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 3405-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.008 BindingDB Entry DOI: 10.7270/Q2S75GHK
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50156551 (4-{2-[(2S)-2-[(3R)-3-[3-(4-chloro-2-methylphenyl)p...) Show SMILES Cc1cc(Cl)ccc1-c1cccc(c1)[C@H](O)CC[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C29H30ClNO4/c1-19-17-24(30)9-12-26(19)22-3-2-4-23(18-22)27(32)13-10-25-11-14-28(33)31(25)16-15-20-5-7-21(8-6-20)29(34)35/h2-9,12,17-18,25,27,32H,10-11,13-16H2,1H3,(H,34,35)/t25-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Binding affinity to human EP4 receptor				J Med Chem 47: 6124-7 (2004) Article DOI: 10.1021/jm049290a BindingDB Entry DOI: 10.7270/Q2P84BBQ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50318916 (2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N(CCO)CCCO Show InChI InChI=1S/C29H30ClF6N3O3/c1-27(2,18-13-19(28(31,32)33)15-20(14-18)29(34,35)36)26(42)38(3)24-17-37-25(39(10-12-41)9-6-11-40)16-22(24)21-7-4-5-8-23(21)30/h4-5,7-8,13-17,40-41H,6,9-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells				Bioorg Med Chem Lett 20: 3405-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.008 BindingDB Entry DOI: 10.7270/Q2S75GHK
					More data for this Ligand-Target Pair

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