Compile Data Set for Download or QSAR

Found 551 hits with Last Name = 'morgan' and Initial = 'g'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19423 (HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	<0.200	<-55.4	1	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19423 (HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.5	-50.4	13	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM178095 (BRD2492) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccncc1 Show InChI InChI=1S/C20H18N4O2/c1-13(25)23-17-5-2-15(3-6-17)20(26)24-19-12-16(4-7-18(19)21)14-8-10-22-11-9-14/h2-12H,21H2,1H3,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	3	-48.6	2	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM178095 (BRD2492) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccncc1 Show InChI InChI=1S/C20H18N4O2/c1-13(25)23-17-5-2-15(3-6-17)20(26)24-19-12-16(4-7-18(19)21)14-8-10-22-11-9-14/h2-12H,21H2,1H3,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	14	-44.8	19	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19422 (4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	25	-43.4	46	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM178100 (BRD3308 | US11377423, Cmpd 1) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(F)cc1N Show InChI InChI=1S/C15H14FN3O2/c1-9(20)18-12-5-2-10(3-6-12)15(21)19-14-7-4-11(16)8-13(14)17/h2-8H,17H2,1H3,(H,18,20)(H,19,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	29	-43.0	64	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19422 (4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	37	-42.4	41	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19422 (4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	223	-38.0	147	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19423 (HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	500	-36.0	398	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM178100 (BRD3308 | US11377423, Cmpd 1) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(F)cc1N Show InChI InChI=1S/C15H14FN3O2/c1-9(20)18-12-5-2-10(3-6-12)15(21)19-14-7-4-11(16)8-13(14)17/h2-8H,17H2,1H3,(H,18,20)(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	5.10E+3	-30.2	1.08E+3	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM178100 (BRD3308 | US11377423, Cmpd 1) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(F)cc1N Show InChI InChI=1S/C15H14FN3O2/c1-9(20)18-12-5-2-10(3-6-12)15(21)19-14-7-4-11(16)8-13(14)17/h2-8H,17H2,1H3,(H,18,20)(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	6.30E+3	-29.7	1.15E+3	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM178095 (BRD2492) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccncc1 Show InChI InChI=1S/C20H18N4O2/c1-13(25)23-17-5-2-15(3-6-17)20(26)24-19-12-16(4-7-18(19)21)14-8-10-22-11-9-14/h2-12H,21H2,1H3,(H,23,25)(H,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	-27.7	2.08E+3	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50214034 ((1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-(t...) Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)nc2c1 Show InChI InChI=1S/C22H27N3OS/c1-15-10-22(25-21-12-19(26-2)6-7-20(15)21)24-18-5-3-4-17(11-18)23-13-16-8-9-27-14-16/h6-10,12,14,17-18,23H,3-5,11,13H2,1-2H3,(H,24,25)/t17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 4232-41 (2007) Article DOI: 10.1016/j.bmcl.2007.05.034 BindingDB Entry DOI: 10.7270/Q27W6BVC
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50214034 ((1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-(t...) Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)nc2c1 Show InChI InChI=1S/C22H27N3OS/c1-15-10-22(25-21-12-19(26-2)6-7-20(15)21)24-18-5-3-4-17(11-18)23-13-16-8-9-27-14-16/h6-10,12,14,17-18,23H,3-5,11,13H2,1-2H3,(H,24,25)/t17-,18-/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
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation				Bioorg Med Chem Lett 17: 4232-41 (2007) Article DOI: 10.1016/j.bmcl.2007.05.034 BindingDB Entry DOI: 10.7270/Q27W6BVC
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50296045 (CHEMBL562847 | N-(1-(6-oxo-1,6-dihydropyridin-3-yl...) Show SMILES CCCCC(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(=O)[nH]c1 Show InChI InChI=1S/C29H35F3N4O2/c1-2-3-4-26(23-5-10-27(37)33-18-23)34-28(38)17-21-11-14-35(15-12-21)19-22-13-16-36(20-22)25-8-6-24(7-9-25)29(30,31)32/h5-10,13,16,18,20-21,26H,2-4,11-12,14-15,17,19H2,1H3,(H,33,37)(H,34,38)	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
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4268-73 (2009) Article DOI: 10.1016/j.bmcl.2009.05.067 BindingDB Entry DOI: 10.7270/Q2RX9C4H
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50296044 (CHEMBL554332 | N-((4-fluorophenyl)(6-oxo-1,6-dihyd...) Show SMILES Fc1ccc(cc1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(=O)[nH]c1 Show InChI InChI=1S/C31H30F4N4O2/c32-26-6-1-23(2-7-26)30(24-3-10-28(40)36-18-24)37-29(41)17-21-11-14-38(15-12-21)19-22-13-16-39(20-22)27-8-4-25(5-9-27)31(33,34)35/h1-10,13,16,18,20-21,30H,11-12,14-15,17,19H2,(H,36,40)(H,37,41)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4268-73 (2009) Article DOI: 10.1016/j.bmcl.2009.05.067 BindingDB Entry DOI: 10.7270/Q2RX9C4H
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50296041 (CHEMBL553196 | N-((4-fluorophenyl)(6-methoxypyridi...) Show SMILES COc1ccc(cn1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C32H32F4N4O2/c1-42-30-11-4-25(19-37-30)31(24-2-7-27(33)8-3-24)38-29(41)18-22-12-15-39(16-13-22)20-23-14-17-40(21-23)28-9-5-26(6-10-28)32(34,35)36/h2-11,14,17,19,21-22,31H,12-13,15-16,18,20H2,1H3,(H,38,41)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4268-73 (2009) Article DOI: 10.1016/j.bmcl.2009.05.067 BindingDB Entry DOI: 10.7270/Q2RX9C4H
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50214024 ((1S,3S)-N1-(6-methoxy-4-methylquinolin-2-yl)-N3-(t...) Show SMILES COc1ccc2nc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)cc(C)c2c1 Show InChI InChI=1S/C22H27N3OS/c1-15-10-22(25-21-7-6-19(26-2)12-20(15)21)24-18-5-3-4-17(11-18)23-13-16-8-9-27-14-16/h6-10,12,14,17-18,23H,3-5,11,13H2,1-2H3,(H,24,25)/t17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 4232-41 (2007) Article DOI: 10.1016/j.bmcl.2007.05.034 BindingDB Entry DOI: 10.7270/Q27W6BVC
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50296019 (CHEMBL549635 | N-(4-fluorobenzyl)-N-(3-hydroxyprop...) Show SMILES OCCCN(Cc1ccc(F)cc1)C(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H33F4N3O2/c30-26-6-2-23(3-7-26)20-36(13-1-17-37)28(38)18-22-10-14-34(15-11-22)19-24-12-16-35(21-24)27-8-4-25(5-9-27)29(31,32)33/h2-9,12,16,21-22,37H,1,10-11,13-15,17-20H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4268-73 (2009) Article DOI: 10.1016/j.bmcl.2009.05.067 BindingDB Entry DOI: 10.7270/Q2RX9C4H
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50296042 (CHEMBL549984 | N-(1-(6-methoxypyridin-3-yl)pentyl)...) Show SMILES CCCCC(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(OC)nc1 Show InChI InChI=1S/C30H37F3N4O2/c1-3-4-5-27(24-6-11-29(39-2)34-19-24)35-28(38)18-22-12-15-36(16-13-22)20-23-14-17-37(21-23)26-9-7-25(8-10-26)30(31,32)33/h6-11,14,17,19,21-22,27H,3-5,12-13,15-16,18,20H2,1-2H3,(H,35,38)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4268-73 (2009) Article DOI: 10.1016/j.bmcl.2009.05.067 BindingDB Entry DOI: 10.7270/Q2RX9C4H
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50214036 ((1S,3S)-N1-((5-(difluoromethoxy)-1-methyl-1H-indol...) Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4ccc(OC(F)F)cc34)nc2c1 Show InChI InChI=1S/C27H30F2N4O2/c1-16-10-26(32-24-13-20(34-3)6-8-22(16)24)31-19-5-4-18(11-19)30-14-17-15-33(2)25-9-7-21(12-23(17)25)35-27(28)29/h6-10,12-13,15,18-19,27,30H,4-5,11,14H2,1-3H3,(H,31,32)/t18-,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 4232-41 (2007) Article DOI: 10.1016/j.bmcl.2007.05.034 BindingDB Entry DOI: 10.7270/Q27W6BVC
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50296043 (CHEMBL540930 | N-((5-chloro-6-oxo-1,6-dihydropyrid...) Show SMILES Fc1ccc(cc1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1c[nH]c(=O)c(Cl)c1 Show InChI InChI=1S/C31H29ClF4N4O2/c32-27-16-23(17-37-30(27)42)29(22-1-5-25(33)6-2-22)38-28(41)15-20-9-12-39(13-10-20)18-21-11-14-40(19-21)26-7-3-24(4-8-26)31(34,35)36/h1-8,11,14,16-17,19-20,29H,9-10,12-13,15,18H2,(H,37,42)(H,38,41)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4268-73 (2009) Article DOI: 10.1016/j.bmcl.2009.05.067 BindingDB Entry DOI: 10.7270/Q2RX9C4H
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50214037 ((1S,3S)-N1-(4-methylquinolin-2-yl)-N3-(thiophen-3-...) Show SMILES Cc1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccccc12 Show InChI InChI=1S/C21H25N3S/c1-15-11-21(24-20-8-3-2-7-19(15)20)23-18-6-4-5-17(12-18)22-13-16-9-10-25-14-16/h2-3,7-11,14,17-18,22H,4-6,12-13H2,1H3,(H,23,24)/t17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 4232-41 (2007) Article DOI: 10.1016/j.bmcl.2007.05.034 BindingDB Entry DOI: 10.7270/Q27W6BVC
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50296047 (CHEMBL554511 | N-(2,4-dichlorobenzyl)-4-((1-(4-(tr...) Show SMILES FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCN(CC2)C(=O)NCc2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C24H23Cl2F3N4O/c25-20-4-1-18(22(26)13-20)14-30-23(34)32-11-9-31(10-12-32)15-17-7-8-33(16-17)21-5-2-19(3-6-21)24(27,28)29/h1-8,13,16H,9-12,14-15H2,(H,30,34)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4268-73 (2009) Article DOI: 10.1016/j.bmcl.2009.05.067 BindingDB Entry DOI: 10.7270/Q2RX9C4H
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50214052 ((1S,3S)-N1-(4-methoxyquinolin-2-yl)-N3-(thiophen-3...) Show SMILES COc1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccccc12 Show InChI InChI=1S/C21H25N3OS/c1-25-20-12-21(24-19-8-3-2-7-18(19)20)23-17-6-4-5-16(11-17)22-13-15-9-10-26-14-15/h2-3,7-10,12,14,16-17,22H,4-6,11,13H2,1H3,(H,23,24)/t16-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation				Bioorg Med Chem Lett 17: 4232-41 (2007) Article DOI: 10.1016/j.bmcl.2007.05.034 BindingDB Entry DOI: 10.7270/Q27W6BVC
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50214052 ((1S,3S)-N1-(4-methoxyquinolin-2-yl)-N3-(thiophen-3...) Show SMILES COc1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccccc12 Show InChI InChI=1S/C21H25N3OS/c1-25-20-12-21(24-19-8-3-2-7-18(19)20)23-17-6-4-5-16(11-17)22-13-15-9-10-26-14-15/h2-3,7-10,12,14,16-17,22H,4-6,11,13H2,1H3,(H,23,24)/t16-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 4232-41 (2007) Article DOI: 10.1016/j.bmcl.2007.05.034 BindingDB Entry DOI: 10.7270/Q27W6BVC
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50214035 ((1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-((...) Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4ccccc34)nc2c1 Show InChI InChI=1S/C26H30N4O/c1-17-12-26(29-24-14-21(31-3)10-11-22(17)24)28-20-9-8-19(13-20)27-15-18-16-30(2)25-7-5-4-6-23(18)25/h4-7,10-12,14,16,19-20,27H,8-9,13,15H2,1-3H3,(H,28,29)/t19-,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 4232-41 (2007) Article DOI: 10.1016/j.bmcl.2007.05.034 BindingDB Entry DOI: 10.7270/Q27W6BVC
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50297624 (1-phenyl-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-p...) Show SMILES FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)N2CCn3cccc3C2c2ccccc2)c1 Show InChI InChI=1S/C31H32F3N5O/c32-31(33,34)25-8-10-27(11-9-25)38-18-12-23(22-38)21-36-16-13-26(14-17-36)35-30(40)39-20-19-37-15-4-7-28(37)29(39)24-5-2-1-3-6-24/h1-12,15,18,22,26,29H,13-14,16-17,19-21H2,(H,35,40)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCH1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4274-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.066 BindingDB Entry DOI: 10.7270/Q24Q7V1J
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50214050 ((1S,3S)-N1-(benzo[c][1,2,5]thiadiazol-4-ylmethyl)-...) Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3cccc4nsnc34)nc2c1 Show InChI InChI=1S/C24H27N5OS/c1-15-11-23(27-22-13-19(30-2)9-10-20(15)22)26-18-7-4-6-17(12-18)25-14-16-5-3-8-21-24(16)29-31-28-21/h3,5,8-11,13,17-18,25H,4,6-7,12,14H2,1-2H3,(H,26,27)/t17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 4232-41 (2007) Article DOI: 10.1016/j.bmcl.2007.05.034 BindingDB Entry DOI: 10.7270/Q27W6BVC
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50297625 (1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phenylethyl)...) Show SMILES Cc1cc(C)n(CC(NC(=O)NC2CCN(Cc3ccn(c3)-c3ccc(cc3)C(F)(F)F)CC2)c2ccccc2)n1 Show InChI InChI=1S/C31H35F3N6O/c1-22-18-23(2)40(37-22)21-29(25-6-4-3-5-7-25)36-30(41)35-27-13-15-38(16-14-27)19-24-12-17-39(20-24)28-10-8-26(9-11-28)31(32,33)34/h3-12,17-18,20,27,29H,13-16,19,21H2,1-2H3,(H2,35,36,41)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCH1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4274-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.066 BindingDB Entry DOI: 10.7270/Q24Q7V1J
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50214030 ((1S,3S)-N1-(3,4-dichlorobenzyl)-N3-(7-methoxy-4-me...) Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3ccc(Cl)c(Cl)c3)nc2c1 Show InChI InChI=1S/C24H27Cl2N3O/c1-15-10-24(29-23-13-19(30-2)7-8-20(15)23)28-18-5-3-4-17(12-18)27-14-16-6-9-21(25)22(26)11-16/h6-11,13,17-18,27H,3-5,12,14H2,1-2H3,(H,28,29)/t17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 4232-41 (2007) Article DOI: 10.1016/j.bmcl.2007.05.034 BindingDB Entry DOI: 10.7270/Q27W6BVC
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50296017 (CHEMBL538936 | N-(bis(4-fluorophenyl)methyl)-2-(1-...) Show SMILES Fc1ccc(cc1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cn2)C(F)(F)F)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C31H29F5N4O/c32-26-6-1-23(2-7-26)30(24-3-8-27(33)9-4-24)38-29(41)17-21-11-14-39(15-12-21)19-22-13-16-40(20-22)28-10-5-25(18-37-28)31(34,35)36/h1-10,13,16,18,20-21,30H,11-12,14-15,17,19H2,(H,38,41)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4268-73 (2009) Article DOI: 10.1016/j.bmcl.2009.05.067 BindingDB Entry DOI: 10.7270/Q2RX9C4H
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50297626 (2-(4-fluorophenyl)-N-(1-((1-(4-(trifluoromethyl)ph...) Show SMILES Fc1ccc(cc1)C1CCCN1C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1 Show InChI InChI=1S/C28H30F4N4O/c29-23-7-3-21(4-8-23)26-2-1-14-36(26)27(37)33-24-12-15-34(16-13-24)18-20-11-17-35(19-20)25-9-5-22(6-10-25)28(30,31)32/h3-11,17,19,24,26H,1-2,12-16,18H2,(H,33,37)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCH1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4274-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.066 BindingDB Entry DOI: 10.7270/Q24Q7V1J
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50245487 (2-(3-chlorophenoxy)-N-(1-((1-(4-(trifluoromethoxy)...) Show SMILES FC(F)(F)Oc1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)COc2cccc(Cl)c2)c1 Show InChI InChI=1S/C25H25ClF3N3O3/c26-19-2-1-3-23(14-19)34-17-24(33)30-20-9-11-31(12-10-20)15-18-8-13-32(16-18)21-4-6-22(7-5-21)35-25(27,28)29/h1-8,13-14,16,20H,9-12,15,17H2,(H,30,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation				Bioorg Med Chem Lett 18: 4859-63 (2008) Article DOI: 10.1016/j.bmcl.2008.07.079 BindingDB Entry DOI: 10.7270/Q2125SHR
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50214068 (6-methoxy-4-methyl-N-(3-(thiophen-3-ylmethylamino)...) Show SMILES COc1ccc2nc(NCCCNCc3ccsc3)cc(C)c2c1 Show InChI InChI=1S/C19H23N3OS/c1-14-10-19(22-18-5-4-16(23-2)11-17(14)18)21-8-3-7-20-12-15-6-9-24-13-15/h4-6,9-11,13,20H,3,7-8,12H2,1-2H3,(H,21,22)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 4232-41 (2007) Article DOI: 10.1016/j.bmcl.2007.05.034 BindingDB Entry DOI: 10.7270/Q27W6BVC
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50214046 ((1S,3S)-N1-(3-(trifluoromethoxy)benzyl)-N3-(7-meth...) Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3cccc(OC(F)(F)F)c3)nc2c1 Show InChI InChI=1S/C25H28F3N3O2/c1-16-11-24(31-23-14-20(32-2)9-10-22(16)23)30-19-7-4-6-18(13-19)29-15-17-5-3-8-21(12-17)33-25(26,27)28/h3,5,8-12,14,18-19,29H,4,6-7,13,15H2,1-2H3,(H,30,31)/t18-,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 4232-41 (2007) Article DOI: 10.1016/j.bmcl.2007.05.034 BindingDB Entry DOI: 10.7270/Q27W6BVC
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50214061 ((1S,3S)-N1-(benzo[c][1,2,5]thiadiazol-5-ylmethyl)-...) Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3ccc4nsnc4c3)nc2c1 Show InChI InChI=1S/C24H27N5OS/c1-15-10-24(27-22-13-19(30-2)7-8-20(15)22)26-18-5-3-4-17(12-18)25-14-16-6-9-21-23(11-16)29-31-28-21/h6-11,13,17-18,25H,3-5,12,14H2,1-2H3,(H,26,27)/t17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 4232-41 (2007) Article DOI: 10.1016/j.bmcl.2007.05.034 BindingDB Entry DOI: 10.7270/Q27W6BVC
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50297627 (1-(1-phenyl-2-(pyrazin-2-yl)ethyl)-3-(1-((1-(4-(tr...) Show SMILES FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(Cc2cnccn2)c2ccccc2)c1 Show InChI InChI=1S/C30H31F3N6O/c31-30(32,33)24-6-8-27(9-7-24)39-17-10-22(21-39)20-38-15-11-25(12-16-38)36-29(40)37-28(23-4-2-1-3-5-23)18-26-19-34-13-14-35-26/h1-10,13-14,17,19,21,25,28H,11-12,15-16,18,20H2,(H2,36,37,40)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCH1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4274-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.066 BindingDB Entry DOI: 10.7270/Q24Q7V1J
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50296017 (CHEMBL538936 | N-(bis(4-fluorophenyl)methyl)-2-(1-...) Show SMILES Fc1ccc(cc1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cn2)C(F)(F)F)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C31H29F5N4O/c32-26-6-1-23(2-7-26)30(24-3-8-27(33)9-4-24)38-29(41)17-21-11-14-39(15-12-21)19-22-13-16-40(20-22)28-10-5-25(18-37-28)31(34,35)36/h1-10,13,16,18,20-21,30H,11-12,14-15,17,19H2,(H,38,41)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation				Bioorg Med Chem Lett 19: 4268-73 (2009) Article DOI: 10.1016/j.bmcl.2009.05.067 BindingDB Entry DOI: 10.7270/Q2RX9C4H
					More data for this Ligand-Target Pair

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