Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'marley' and Initial = 'dm'   

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
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50264232 (2-(3-(6-hydroxynaphthalen-2-yl)propanamido)benzoic...) Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc2cc(O)ccc2c1 Show InChI InChI=1S/C20H17NO4/c22-16-9-8-14-11-13(5-7-15(14)12-16)6-10-19(23)21-18-4-2-1-3-17(18)20(24)25/h1-5,7-9,11-12,22H,6,10H2,(H,21,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 4963-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.030 BindingDB Entry DOI: 10.7270/Q2V124M6
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50264233 (2-(3-(6-aminonaphthalen-2-yl)propanamido)benzoic a...) Show SMILES Nc1ccc2cc(CCC(=O)Nc3ccccc3C(O)=O)ccc2c1 Show InChI InChI=1S/C20H18N2O3/c21-16-9-8-14-11-13(5-7-15(14)12-16)6-10-19(23)22-18-4-2-1-3-17(18)20(24)25/h1-5,7-9,11-12H,6,10,21H2,(H,22,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 4963-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.030 BindingDB Entry DOI: 10.7270/Q2V124M6
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50264234 (2-(3-(6-formylnaphthalen-2-yl)propanamido)benzoic ...) Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc2cc(C=O)ccc2c1 Show InChI InChI=1S/C21H17NO4/c23-13-15-6-9-16-11-14(5-8-17(16)12-15)7-10-20(24)22-19-4-2-1-3-18(19)21(25)26/h1-6,8-9,11-13H,7,10H2,(H,22,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 4963-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.030 BindingDB Entry DOI: 10.7270/Q2V124M6
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50264231 (2-(3-(6-methoxynaphthalen-2-yl)propanamido)benzoic...) Show SMILES COc1ccc2cc(CCC(=O)Nc3ccccc3C(O)=O)ccc2c1 Show InChI InChI=1S/C21H19NO4/c1-26-17-10-9-15-12-14(6-8-16(15)13-17)7-11-20(23)22-19-5-3-2-4-18(19)21(24)25/h2-6,8-10,12-13H,7,11H2,1H3,(H,22,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 4963-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.030 BindingDB Entry DOI: 10.7270/Q2V124M6
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23515 (CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...) Show SMILES OC(=O)c1cccnc1 Show InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 4963-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.030 BindingDB Entry DOI: 10.7270/Q2V124M6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23518 (2-[3-(naphthalen-2-yl)propanamido]benzoic acid | B...) Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc2ccccc2c1 Show InChI InChI=1S/C20H17NO3/c22-19(21-18-8-4-3-7-17(18)20(23)24)12-10-14-9-11-15-5-1-2-6-16(15)13-14/h1-9,11,13H,10,12H2,(H,21,22)(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 4963-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.030 BindingDB Entry DOI: 10.7270/Q2V124M6
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50264188 (2-(2-(4-tert-butylphenoxy)acetamido)benzoic acid |...) Show SMILES CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C19H21NO4/c1-19(2,3)13-8-10-14(11-9-13)24-12-17(21)20-16-7-5-4-6-15(16)18(22)23/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 4963-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.030 BindingDB Entry DOI: 10.7270/Q2V124M6
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50264233 (2-(3-(6-aminonaphthalen-2-yl)propanamido)benzoic a...) Show SMILES Nc1ccc2cc(CCC(=O)Nc3ccccc3C(O)=O)ccc2c1 Show InChI InChI=1S/C20H18N2O3/c21-16-9-8-14-11-13(5-7-15(14)12-16)6-10-19(23)22-18-4-2-1-3-17(18)20(24)25/h1-5,7-9,11-12H,6,10,21H2,(H,22,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	540	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human GPR109A receptor expressed in CHO-K1 cells by [35S]GTPgammaS guanine nucleotide exchange assay				Bioorg Med Chem Lett 18: 4963-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.030 BindingDB Entry DOI: 10.7270/Q2V124M6
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50264234 (2-(3-(6-formylnaphthalen-2-yl)propanamido)benzoic ...) Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc2cc(C=O)ccc2c1 Show InChI InChI=1S/C21H17NO4/c23-13-15-6-9-16-11-14(5-8-17(16)12-15)7-10-20(24)22-19-4-2-1-3-18(19)21(25)26/h1-6,8-9,11-13H,7,10H2,(H,22,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	940	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human GPR109A receptor expressed in CHO-K1 cells by [35S]GTPgammaS guanine nucleotide exchange assay				Bioorg Med Chem Lett 18: 4963-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.030 BindingDB Entry DOI: 10.7270/Q2V124M6
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50264232 (2-(3-(6-hydroxynaphthalen-2-yl)propanamido)benzoic...) Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc2cc(O)ccc2c1 Show InChI InChI=1S/C20H17NO4/c22-16-9-8-14-11-13(5-7-15(14)12-16)6-10-19(23)21-18-4-2-1-3-17(18)20(24)25/h1-5,7-9,11-12,22H,6,10H2,(H,21,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	380	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human GPR109A receptor expressed in CHO-K1 cells by [35S]GTPgammaS guanine nucleotide exchange assay				Bioorg Med Chem Lett 18: 4963-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.030 BindingDB Entry DOI: 10.7270/Q2V124M6
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50264188 (2-(2-(4-tert-butylphenoxy)acetamido)benzoic acid |...) Show SMILES CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C19H21NO4/c1-19(2,3)13-8-10-14(11-9-13)24-12-17(21)20-16-7-5-4-6-15(16)18(22)23/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human GPR109A receptor expressed in CHO-K1 cells by [35S]GTPgammaS guanine nucleotide exchange assay				Bioorg Med Chem Lett 18: 4963-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.030 BindingDB Entry DOI: 10.7270/Q2V124M6
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23518 (2-[3-(naphthalen-2-yl)propanamido]benzoic acid | B...) Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc2ccccc2c1 Show InChI InChI=1S/C20H17NO3/c22-19(21-18-8-4-3-7-17(18)20(23)24)12-10-14-9-11-15-5-1-2-6-16(15)13-14/h1-9,11,13H,10,12H2,(H,21,22)(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human GPR109A receptor expressed in CHO-K1 cells by [35S]GTPgammaS guanine nucleotide exchange assay				Bioorg Med Chem Lett 18: 4963-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.030 BindingDB Entry DOI: 10.7270/Q2V124M6
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23515 (CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...) Show SMILES OC(=O)c1cccnc1 Show InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human GPR109A receptor expressed in CHO-K1 cells by [35S]GTPgammaS guanine nucleotide exchange assay				Bioorg Med Chem Lett 18: 4963-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.030 BindingDB Entry DOI: 10.7270/Q2V124M6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23517 (2-[2-(4-methoxyphenoxy)acetamido]benzoic acid | Bi...) Show SMILES COc1ccc(OCC(=O)Nc2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C16H15NO5/c1-21-11-6-8-12(9-7-11)22-10-15(18)17-14-5-3-2-4-13(14)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human GPR109A receptor expressed in CHO-K1 cells by [35S]GTPgammaS guanine nucleotide exchange assay				Bioorg Med Chem Lett 18: 4963-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.030 BindingDB Entry DOI: 10.7270/Q2V124M6
					More data for this Ligand-Target Pair