Compile Data Set for Download or QSAR

Found 791 hits with Last Name = 'dayton' and Initial = 'b'   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183974 ((E)-6-chloro-4-(1-cinnamylpiperidin-4-ylamino)-1-m...) Show SMILES Cn1c2ccc(Cl)cc2c(NC2CCN(C\C=C\c3ccccc3)CC2)cc1=O Show InChI InChI=1S/C24H26ClN3O/c1-27-23-10-9-19(25)16-21(23)22(17-24(27)29)26-20-11-14-28(15-12-20)13-5-8-18-6-3-2-4-7-18/h2-10,16-17,20,26H,11-15H2,1H3/b8-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183965 (6-chloro-4-(1-(naphthalen-2-ylmethyl)piperidin-4-y...) Show SMILES Clc1ccc2n(Cc3ccccn3)c(=O)cc(NC3CCN(Cc4ccc5ccccc5c4)CC3)c2c1 Show InChI InChI=1S/C31H29ClN4O/c32-25-10-11-30-28(18-25)29(19-31(37)36(30)21-27-7-3-4-14-33-27)34-26-12-15-35(16-13-26)20-22-8-9-23-5-1-2-6-24(23)17-22/h1-11,14,17-19,26,34H,12-13,15-16,20-21H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183969 (4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...) Show SMILES Clc1ccc2[nH]c(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1 Show InChI InChI=1S/C22H22ClN3O3/c23-15-2-3-18-17(10-15)19(11-22(27)25-18)24-16-5-7-26(8-6-16)12-14-1-4-20-21(9-14)29-13-28-20/h1-4,9-11,16H,5-8,12-13H2,(H2,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183966 (4-(8-(benzo[d][1,3]dioxol-5-ylmethyl)-8-aza-bicycl...) Show SMILES FC(F)(F)Cn1c2ccc(Cl)cc2c(NC2CC3CCC(C2)N3Cc2ccc3OCOc3c2)nc1=O |TLB:14:15:22:18.19| Show InChI InChI=1S/C25H24ClF3N4O3/c26-15-2-5-20-19(8-15)23(31-24(34)33(20)12-25(27,28)29)30-16-9-17-3-4-18(10-16)32(17)11-14-1-6-21-22(7-14)36-13-35-21/h1-2,5-8,16-18H,3-4,9-13H2,(H,30,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183960 (4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...) Show SMILES CCCCCn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4OCOc4c3)CC2)nc1=O Show InChI InChI=1S/C26H31ClN4O3/c1-2-3-4-11-31-22-7-6-19(27)15-21(22)25(29-26(31)32)28-20-9-12-30(13-10-20)16-18-5-8-23-24(14-18)34-17-33-23/h5-8,14-15,20H,2-4,9-13,16-17H2,1H3,(H,28,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183972 (4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...) Show SMILES Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4OCOc4c3)CC2)nc1=O Show InChI InChI=1S/C22H23ClN4O3/c1-26-18-4-3-15(23)11-17(18)21(25-22(26)28)24-16-6-8-27(9-7-16)12-14-2-5-19-20(10-14)30-13-29-19/h2-5,10-11,16H,6-9,12-13H2,1H3,(H,24,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183971 (6-chloro-4-(1-(naphthalen-2-ylmethyl)piperidin-4-y...) Show SMILES FC(F)(F)Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4ccccc4c3)CC2)nc1=O Show InChI InChI=1S/C26H24ClF3N4O/c27-20-7-8-23-22(14-20)24(32-25(35)34(23)16-26(28,29)30)31-21-9-11-33(12-10-21)15-17-5-6-18-3-1-2-4-19(18)13-17/h1-8,13-14,21H,9-12,15-16H2,(H,31,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183968 (6-chloro-1-methyl-4-(1-(naphthalen-2-ylmethyl)pipe...) Show SMILES Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4ccccc4c3)CC2)nc1=O Show InChI InChI=1S/C25H25ClN4O/c1-29-23-9-8-20(26)15-22(23)24(28-25(29)31)27-21-10-12-30(13-11-21)16-17-6-7-18-4-2-3-5-19(18)14-17/h2-9,14-15,21H,10-13,16H2,1H3,(H,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183975 (6-chloro-1-methyl-4-(1-(naphthalen-2-ylmethyl)pipe...) Show SMILES Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4ccccc4c3)CC2)cc1=O Show InChI InChI=1S/C26H26ClN3O/c1-29-25-9-8-21(27)15-23(25)24(16-26(29)31)28-22-10-12-30(13-11-22)17-18-6-7-19-4-2-3-5-20(19)14-18/h2-9,14-16,22,28H,10-13,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	215	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183964 (4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...) Show SMILES Clc1ccc2n(Cc3ccccc3)c(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1 Show InChI InChI=1S/C29H28ClN3O3/c30-22-7-8-26-24(15-22)25(16-29(34)33(26)18-20-4-2-1-3-5-20)31-23-10-12-32(13-11-23)17-21-6-9-27-28(14-21)36-19-35-27/h1-9,14-16,23,31H,10-13,17-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183958 (4-(8-(benzo[d][1,3]dioxol-5-ylmethyl)-8-aza-bicycl...) Show SMILES Cn1c2ccc(Cl)cc2c(NC2CC3CCC(C2)N3Cc2ccc3OCOc3c2)nc1=O |TLB:10:11:18:14.15| Show InChI InChI=1S/C24H25ClN4O3/c1-28-20-6-3-15(25)9-19(20)23(27-24(28)30)26-16-10-17-4-5-18(11-16)29(17)12-14-2-7-21-22(8-14)32-13-31-21/h2-3,6-9,16-18H,4-5,10-13H2,1H3,(H,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183958 (4-(8-(benzo[d][1,3]dioxol-5-ylmethyl)-8-aza-bicycl...) Show SMILES Cn1c2ccc(Cl)cc2c(NC2CC3CCC(C2)N3Cc2ccc3OCOc3c2)nc1=O |TLB:10:11:18:14.15| Show InChI InChI=1S/C24H25ClN4O3/c1-28-20-6-3-15(25)9-19(20)23(27-24(28)30)26-16-10-17-4-5-18(11-16)29(17)12-14-2-7-21-22(8-14)32-13-31-21/h2-3,6-9,16-18H,4-5,10-13H2,1H3,(H,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183954 (4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...) Show SMILES Clc1ccc2n(Cc3ccncc3)c(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1 Show InChI InChI=1S/C28H27ClN4O3/c29-21-2-3-25-23(14-21)24(15-28(34)33(25)17-19-5-9-30-10-6-19)31-22-7-11-32(12-8-22)16-20-1-4-26-27(13-20)36-18-35-26/h1-6,9-10,13-15,22,31H,7-8,11-12,16-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	355	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183973 (4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...) Show SMILES Clc1ccc2[nH]c(=O)c(C#N)c(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1 Show InChI InChI=1S/C23H21ClN4O3/c24-15-2-3-19-17(10-15)22(18(11-25)23(29)27-19)26-16-5-7-28(8-6-16)12-14-1-4-20-21(9-14)31-13-30-20/h1-4,9-10,16H,5-8,12-13H2,(H2,26,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183967 (4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...) Show SMILES FC(F)(F)Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4OCOc4c3)CC2)nc1=O Show InChI InChI=1S/C23H22ClF3N4O3/c24-15-2-3-18-17(10-15)21(29-22(32)31(18)12-23(25,26)27)28-16-5-7-30(8-6-16)11-14-1-4-19-20(9-14)34-13-33-19/h1-4,9-10,16H,5-8,11-13H2,(H,28,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	445	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183953 (4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...) Show SMILES Clc1ccc2n(Cc3ccccn3)c(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1 Show InChI InChI=1S/C28H27ClN4O3/c29-20-5-6-25-23(14-20)24(15-28(34)33(25)17-22-3-1-2-10-30-22)31-21-8-11-32(12-9-21)16-19-4-7-26-27(13-19)36-18-35-26/h1-7,10,13-15,21,31H,8-9,11-12,16-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183957 (4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...) Show SMILES COc1ccc2n(C)c(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1 Show InChI InChI=1S/C24H27N3O4/c1-26-21-5-4-18(29-2)12-19(21)20(13-24(26)28)25-17-7-9-27(10-8-17)14-16-3-6-22-23(11-16)31-15-30-22/h3-6,11-13,17,25H,7-10,14-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	778	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183961 (CHEMBL205741 | methyl 4-(1-(benzo[d][1,3]dioxol-5-...) Show SMILES COC(=O)c1c(NC2CCN(Cc3ccc4OCOc4c3)CC2)c2cc(Cl)ccc2n(C)c1=O Show InChI InChI=1S/C25H26ClN3O5/c1-28-19-5-4-16(26)12-18(19)23(22(24(28)30)25(31)32-2)27-17-7-9-29(10-8-17)13-15-3-6-20-21(11-15)34-14-33-20/h3-6,11-12,17,27H,7-10,13-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183970 (6-chloro-1-methyl-4-(1-(quinolin-6-ylmethyl)piperi...) Show SMILES Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4ncccc4c3)CC2)nc1=O Show InChI InChI=1S/C24H24ClN5O/c1-29-22-7-5-18(25)14-20(22)23(28-24(29)31)27-19-8-11-30(12-9-19)15-16-4-6-21-17(13-16)3-2-10-26-21/h2-7,10,13-14,19H,8-9,11-12,15H2,1H3,(H,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183963 (4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...) Show SMILES Cn1c2ccc(OC(F)(F)F)cc2c(NC2CCN(Cc3ccc4OCOc4c3)CC2)cc1=O Show InChI InChI=1S/C24H24F3N3O4/c1-29-20-4-3-17(34-24(25,26)27)11-18(20)19(12-23(29)31)28-16-6-8-30(9-7-16)13-15-2-5-21-22(10-15)33-14-32-21/h2-5,10-12,16,28H,6-9,13-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183959 (4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...) Show SMILES Cn1c2ccc(OC(F)F)cc2c(NC2CCN(Cc3ccc4OCOc4c3)CC2)cc1=O Show InChI InChI=1S/C24H25F2N3O4/c1-28-20-4-3-17(33-24(25)26)11-18(20)19(12-23(28)30)27-16-6-8-29(9-7-16)13-15-2-5-21-22(10-15)32-14-31-21/h2-5,10-12,16,24,27H,6-9,13-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183962 (4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...) Show SMILES Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4OCOc4c3)CC2)c(C#N)c1=O Show InChI InChI=1S/C24H23ClN4O3/c1-28-20-4-3-16(25)11-18(20)23(19(12-26)24(28)30)27-17-6-8-29(9-7-17)13-15-2-5-21-22(10-15)32-14-31-21/h2-5,10-11,17,27H,6-9,13-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183955 (6-chloro-1-methyl-4-(1-(naphthalen-2-ylmethyl)pipe...) Show SMILES Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4ccccc4c3)CC2)c(C#N)c1=O Show InChI InChI=1S/C27H25ClN4O/c1-31-25-9-8-21(28)15-23(25)26(24(16-29)27(31)33)30-22-10-12-32(13-11-22)17-18-6-7-19-4-2-3-5-20(19)14-18/h2-9,14-15,22,30H,10-13,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50183956 (4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...) Show SMILES Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4OCOc4c3)CC2)c(C(=O)N2CCCC2)c1=O Show InChI InChI=1S/C28H31ClN4O4/c1-31-22-6-5-19(29)15-21(22)26(25(27(31)34)28(35)33-10-2-3-11-33)30-20-8-12-32(13-9-20)16-18-4-7-23-24(14-18)37-17-36-23/h4-7,14-15,20,30H,2-3,8-13,16-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG stably transfected in HEK293 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50051007 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards endothelin A receptor in prolactin secreting rat pituitary cells using [125I]-ET-1 as radioligand.				J Med Chem 40: 322-30 (1997) Article DOI: 10.1021/jm960077r BindingDB Entry DOI: 10.7270/Q20C4TV2
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50152472 (CHEMBL182261 | N-[3-(2-Amino-quinolin-8-yloxy)-pro...) Show SMILES Nc1ccc2cccc(OCCCNC(=O)c3cccc(Cl)c3)c2n1 Show InChI InChI=1S/C19H18ClN3O2/c20-15-6-1-5-14(12-15)19(24)22-10-3-11-25-16-7-2-4-13-8-9-17(21)23-18(13)16/h1-2,4-9,12H,3,10-11H2,(H2,21,23)(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit binding of [125I]-MCH radioligand to human Melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes				Bioorg Med Chem Lett 14: 4879-82 (2004) Article DOI: 10.1016/j.bmcl.2004.07.034 BindingDB Entry DOI: 10.7270/Q2M32V61
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50056071 ((2R,3R,4S)-4-Benzofuran-5-yl-1-dibutylcarbamoylmet...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2occc2c1 Show InChI InChI=1S/C30H38N2O5/c1-4-6-15-31(16-7-5-2)27(33)20-32-19-25(22-10-13-26-23(18-22)14-17-37-26)28(30(34)35)29(32)21-8-11-24(36-3)12-9-21/h8-14,17-18,25,28-29H,4-7,15-16,19-20H2,1-3H3,(H,34,35)/t25-,28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards endothelin A receptor in prolactin secreting rat pituitary cells using [125I]-ET-1 as radioligand.				J Med Chem 40: 322-30 (1997) Article DOI: 10.1021/jm960077r BindingDB Entry DOI: 10.7270/Q20C4TV2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50056066 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(2,3-dihydro...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCCc2c1 Show InChI InChI=1S/C30H40N2O5/c1-4-6-15-31(16-7-5-2)27(33)20-32-19-25(22-10-13-26-23(18-22)14-17-37-26)28(30(34)35)29(32)21-8-11-24(36-3)12-9-21/h8-13,18,25,28-29H,4-7,14-17,19-20H2,1-3H3,(H,34,35)/t25-,28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards endothelin A receptor in prolactin secreting rat pituitary cells using [125I]-ET-1 as radioligand.				J Med Chem 40: 322-30 (1997) Article DOI: 10.1021/jm960077r BindingDB Entry DOI: 10.7270/Q20C4TV2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50056072 ((2R,3R,4S)-4-Benzofuran-6-yl-1-dibutylcarbamoylmet...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2ccoc2c1 Show InChI InChI=1S/C30H38N2O5/c1-4-6-15-31(16-7-5-2)27(33)20-32-19-25(23-9-8-21-14-17-37-26(21)18-23)28(30(34)35)29(32)22-10-12-24(36-3)13-11-22/h8-14,17-18,25,28-29H,4-7,15-16,19-20H2,1-3H3,(H,34,35)/t25-,28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards endothelin A receptor in prolactin secreting rat pituitary cells using [125I]-ET-1 as radioligand.				J Med Chem 40: 322-30 (1997) Article DOI: 10.1021/jm960077r BindingDB Entry DOI: 10.7270/Q20C4TV2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50056057 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(2,3-dihydro...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCCOc2c1 Show InChI InChI=1S/C30H40N2O6/c1-4-6-14-31(15-7-5-2)27(33)20-32-19-24(22-10-13-25-26(18-22)38-17-16-37-25)28(30(34)35)29(32)21-8-11-23(36-3)12-9-21/h8-13,18,24,28-29H,4-7,14-17,19-20H2,1-3H3,(H,34,35)/t24-,28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards endothelin A receptor in prolactin secreting rat pituitary cells using [125I]-ET-1 as radioligand.				J Med Chem 40: 322-30 (1997) Article DOI: 10.1021/jm960077r BindingDB Entry DOI: 10.7270/Q20C4TV2
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50183964 (4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...) Show SMILES Clc1ccc2n(Cc3ccccc3)c(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1 Show InChI InChI=1S/C29H28ClN3O3/c30-22-7-8-26-24(15-22)25(16-29(34)33(26)18-20-4-2-1-3-5-20)31-23-10-12-32(13-11-23)17-21-6-9-27-28(14-21)36-19-35-27/h1-9,14-16,23,31H,10-13,17-19H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50152494 (8-[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-pyrrolid...) Show SMILES Nc1ccc2cccc(OC3CCN(C3)c3ccc4OC(F)(F)Oc4c3)c2n1 Show InChI InChI=1S/C20H17F2N3O3/c21-20(22)27-15-6-5-13(10-17(15)28-20)25-9-8-14(11-25)26-16-3-1-2-12-4-7-18(23)24-19(12)16/h1-7,10,14H,8-9,11H2,(H2,23,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit binding of [125I]-MCH radioligand to human Melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes				Bioorg Med Chem Lett 14: 4883-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.035 BindingDB Entry DOI: 10.7270/Q2GB23H4
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50183965 (6-chloro-4-(1-(naphthalen-2-ylmethyl)piperidin-4-y...) Show SMILES Clc1ccc2n(Cc3ccccn3)c(=O)cc(NC3CCN(Cc4ccc5ccccc5c4)CC3)c2c1 Show InChI InChI=1S/C31H29ClN4O/c32-25-10-11-30-28(18-25)29(19-31(37)36(30)21-27-7-3-4-14-33-27)34-26-12-15-35(16-13-26)20-22-8-9-23-5-1-2-6-24(23)17-22/h1-11,14,17-19,26,34H,12-13,15-16,20-21H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50152479 (1-[3-(2-Amino-quinolin-8-yloxy)-propyl]-3-(3-chlor...) Show SMILES Nc1ccc2cccc(OCCCNC(=O)Nc3cccc(Cl)c3)c2n1 Show InChI InChI=1S/C19H19ClN4O2/c20-14-5-2-6-15(12-14)23-19(25)22-10-3-11-26-16-7-1-4-13-8-9-17(21)24-18(13)16/h1-2,4-9,12H,3,10-11H2,(H2,21,24)(H2,22,23,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit binding of [125I]-MCH radioligand to human Melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes				Bioorg Med Chem Lett 14: 4879-82 (2004) Article DOI: 10.1016/j.bmcl.2004.07.034 BindingDB Entry DOI: 10.7270/Q2M32V61
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50152486 (3-Chloro-N-[3-(2-{[5-(2-chloro-phenyl)-furan-2-ylm...) Show SMILES Clc1cccc(c1)C(=O)NCCCOc1cccc2ccc(NCc3ccc(o3)-c3ccccc3Cl)nc12 Show InChI InChI=1S/C30H25Cl2N3O3/c31-22-8-3-7-21(18-22)30(36)33-16-5-17-37-27-11-4-6-20-12-15-28(35-29(20)27)34-19-23-13-14-26(38-23)24-9-1-2-10-25(24)32/h1-4,6-15,18H,5,16-17,19H2,(H,33,36)(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit binding of [125I]-MCH radioligand to human Melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes				Bioorg Med Chem Lett 14: 4879-82 (2004) Article DOI: 10.1016/j.bmcl.2004.07.034 BindingDB Entry DOI: 10.7270/Q2M32V61
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50152463 (8-[3-(2,2-Difluoro-benzo[1,3]dioxol-5-ylamino)-pro...) Show SMILES Nc1ccc2cccc(OCCCNc3ccc4OC(F)(F)Oc4c3)c2n1 Show InChI InChI=1S/C19H17F2N3O3/c20-19(21)26-14-7-6-13(11-16(14)27-19)23-9-2-10-25-15-4-1-3-12-5-8-17(22)24-18(12)15/h1,3-8,11,23H,2,9-10H2,(H2,22,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit binding of [125I]-MCH radioligand to human Melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes				Bioorg Med Chem Lett 14: 4879-82 (2004) Article DOI: 10.1016/j.bmcl.2004.07.034 BindingDB Entry DOI: 10.7270/Q2M32V61
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50152481 (8-[2-(3-Methoxy-benzylamino)-1-methyl-ethoxy]-quin...) Show SMILES COc1cccc(CNCC(C)Oc2cccc3ccc(N)nc23)c1 Show InChI InChI=1S/C20H23N3O2/c1-14(12-22-13-15-5-3-7-17(11-15)24-2)25-18-8-4-6-16-9-10-19(21)23-20(16)18/h3-11,14,22H,12-13H2,1-2H3,(H2,21,23)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit binding of [125I]-MCH radioligand to human Melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes				Bioorg Med Chem Lett 14: 4879-82 (2004) Article DOI: 10.1016/j.bmcl.2004.07.034 BindingDB Entry DOI: 10.7270/Q2M32V61
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50202681 (7-fluoro-4-oxo-N-(1-((2-oxo-2H-chromen-7-yl)methyl...) Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3ccc(=O)oc3c2)CC1 Show InChI InChI=1S/C25H21FN2O5/c26-17-4-5-19-20(29)13-23(32-22(19)12-17)25(31)27-18-7-9-28(10-8-18)14-15-1-2-16-3-6-24(30)33-21(16)11-15/h1-6,11-13,18H,7-10,14H2,(H,27,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells				Bioorg Med Chem Lett 17: 874-8 (2007) Article DOI: 10.1016/j.bmcl.2006.11.065 BindingDB Entry DOI: 10.7270/Q2D50MMK
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50056081 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(2,3-dihydro...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2CCOc2c1 Show InChI InChI=1S/C30H40N2O5/c1-4-6-15-31(16-7-5-2)27(33)20-32-19-25(23-9-8-21-14-17-37-26(21)18-23)28(30(34)35)29(32)22-10-12-24(36-3)13-11-22/h8-13,18,25,28-29H,4-7,14-17,19-20H2,1-3H3,(H,34,35)/t25-,28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards endothelin A receptor in prolactin secreting rat pituitary cells using [125I]-ET-1 as radioligand.				J Med Chem 40: 322-30 (1997) Article DOI: 10.1021/jm960077r BindingDB Entry DOI: 10.7270/Q20C4TV2
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50152495 (8-[(S)-1-(4-tert-Butyl-benzyl)-pyrrolidin-3-yloxy]...) Show SMILES CC(C)(C)c1ccc(CN2CC[C@@H](C2)Oc2cccc3ccc(N)nc23)cc1 Show InChI InChI=1S/C24H29N3O/c1-24(2,3)19-10-7-17(8-11-19)15-27-14-13-20(16-27)28-21-6-4-5-18-9-12-22(25)26-23(18)21/h4-12,20H,13-16H2,1-3H3,(H2,25,26)/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit binding of [125I]-MCH radioligand to human Melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes				Bioorg Med Chem Lett 14: 4883-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.035 BindingDB Entry DOI: 10.7270/Q2GB23H4
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50183954 (4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...) Show SMILES Clc1ccc2n(Cc3ccncc3)c(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1 Show InChI InChI=1S/C28H27ClN4O3/c29-21-2-3-25-23(14-21)24(15-28(34)33(25)17-19-5-9-30-10-6-19)31-22-7-11-32(12-8-22)16-20-1-4-26-27(13-20)36-18-35-26/h1-6,9-10,13-15,22,31H,7-8,11-12,16-18H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50152497 (8-[1-(4-Isobutyl-phenyl)-pyrrolidin-3-yloxy]-quino...) Show SMILES CC(C)Cc1ccc(cc1)N1CCC(C1)Oc1cccc2ccc(N)nc12 Show InChI InChI=1S/C23H27N3O/c1-16(2)14-17-6-9-19(10-7-17)26-13-12-20(15-26)27-21-5-3-4-18-8-11-22(24)25-23(18)21/h3-11,16,20H,12-15H2,1-2H3,(H2,24,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit binding of [125I]-MCH radioligand to human Melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes				Bioorg Med Chem Lett 14: 4883-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.035 BindingDB Entry DOI: 10.7270/Q2GB23H4
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50183953 (4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...) Show SMILES Clc1ccc2n(Cc3ccccn3)c(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1 Show InChI InChI=1S/C28H27ClN4O3/c29-20-5-6-25-23(14-20)24(15-28(34)33(25)17-22-3-1-2-10-30-22)31-21-8-11-32(12-9-21)16-19-4-7-26-27(13-19)36-18-35-26/h1-7,10,13-15,21,31H,8-9,11-12,16-18H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells				Bioorg Med Chem Lett 16: 2621-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.044 BindingDB Entry DOI: 10.7270/Q2SB45CQ
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50056075 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-2,4-bis-(4-met...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc(OC)cc1 Show InChI InChI=1S/C29H40N2O5/c1-5-7-17-30(18-8-6-2)26(32)20-31-19-25(21-9-13-23(35-3)14-10-21)27(29(33)34)28(31)22-11-15-24(36-4)16-12-22/h9-16,25,27-28H,5-8,17-20H2,1-4H3,(H,33,34)/t25-,27-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards endothelin A receptor in prolactin secreting rat pituitary cells using [125I]-ET-1 as radioligand.				J Med Chem 40: 322-30 (1997) Article DOI: 10.1021/jm960077r BindingDB Entry DOI: 10.7270/Q20C4TV2
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50162116 (2-(4-(benzyloxy)phenyl)-N-(1-(2-(pyrrolidin-1-yl)e...) Show SMILES O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccc2cnn(CCN3CCCC3)c2c1 Show InChI InChI=1S/C28H30N4O2/c33-28(18-22-8-12-26(13-9-22)34-21-23-6-2-1-3-7-23)30-25-11-10-24-20-29-32(27(24)19-25)17-16-31-14-4-5-15-31/h1-3,6-13,19-20H,4-5,14-18,21H2,(H,30,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-MCH from MCHr1 expressed in IMR32 (I3.4.2) cells				J Med Chem 49: 2339-52 (2006) Article DOI: 10.1021/jm0512286 BindingDB Entry DOI: 10.7270/Q24F1Q9F
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50185040 (CHEMBL204828 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...) Show SMILES Clc1cc2oc(cc(=O)c2cc1Cl)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H20Cl2N2O5/c24-16-8-15-18(28)10-22(32-20(15)9-17(16)25)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG				J Med Chem 49: 6569-84 (2006) Article DOI: 10.1021/jm060683e BindingDB Entry DOI: 10.7270/Q2NG4Q7P
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50162116 (2-(4-(benzyloxy)phenyl)-N-(1-(2-(pyrrolidin-1-yl)e...) Show SMILES O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccc2cnn(CCN3CCCC3)c2c1 Show InChI InChI=1S/C28H30N4O2/c33-28(18-22-8-12-26(13-9-22)34-21-23-6-2-1-3-7-23)30-25-11-10-24-20-29-32(27(24)19-25)17-16-31-14-4-5-15-31/h1-3,6-13,19-20H,4-5,14-18,21H2,(H,30,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inihibition of melanin concentrating hormone receptor 1 from human neuronal IMR-32 cells				J Med Chem 48: 1318-21 (2005) Article DOI: 10.1021/jm0490890 BindingDB Entry DOI: 10.7270/Q2794459
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Mus musculus)	BDBM50162116 (2-(4-(benzyloxy)phenyl)-N-(1-(2-(pyrrolidin-1-yl)e...) Show SMILES O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccc2cnn(CCN3CCCC3)c2c1 Show InChI InChI=1S/C28H30N4O2/c33-28(18-22-8-12-26(13-9-22)34-21-23-6-2-1-3-7-23)30-25-11-10-24-20-29-32(27(24)19-25)17-16-31-14-4-5-15-31/h1-3,6-13,19-20H,4-5,14-18,21H2,(H,30,33)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Melanin-concentrating hormone receptor 1 in diet-induced obese mice				Bioorg Med Chem Lett 15: 2752-7 (2005) Article DOI: 10.1016/j.bmcl.2005.03.114 BindingDB Entry DOI: 10.7270/Q2QJ7GSD
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50056070 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(3,4-difluor...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C28H36F2N2O4/c1-4-6-14-31(15-7-5-2)25(33)18-32-17-22(20-10-13-23(29)24(30)16-20)26(28(34)35)27(32)19-8-11-21(36-3)12-9-19/h8-13,16,22,26-27H,4-7,14-15,17-18H2,1-3H3,(H,34,35)/t22-,26-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards endothelin A receptor in prolactin secreting rat pituitary cells using [125I]-ET-1 as radioligand.				J Med Chem 40: 322-30 (1997) Article DOI: 10.1021/jm960077r BindingDB Entry DOI: 10.7270/Q20C4TV2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50056078 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-indan-5-yl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2CCCc2c1 Show InChI InChI=1S/C31H42N2O4/c1-4-6-17-32(18-7-5-2)28(34)21-33-20-27(25-12-11-22-9-8-10-24(22)19-25)29(31(35)36)30(33)23-13-15-26(37-3)16-14-23/h11-16,19,27,29-30H,4-10,17-18,20-21H2,1-3H3,(H,35,36)/t27-,29-,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards endothelin A receptor in prolactin secreting rat pituitary cells using [125I]-ET-1 as radioligand.				J Med Chem 40: 322-30 (1997) Article DOI: 10.1021/jm960077r BindingDB Entry DOI: 10.7270/Q20C4TV2
					More data for this Ligand-Target Pair

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