Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'bokaldere' and Initial = 'r'   

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))	BDBM50022062 (CHEMBL3298701) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)\C=C\c1ccc2cc(O)ccc2c1 |t:3| Show InChI InChI=1S/C20H19NO4/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/h5-12,22H,1-4H2,(H,21,23)(H,24,25)/b10-6+	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	1.40E+3	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Agonist activity at human HCA2 receptor expressed in Flp-In-293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins				Bioorg Med Chem 22: 3654-69 (2014) Article DOI: 10.1016/j.bmc.2014.05.011 BindingDB Entry DOI: 10.7270/Q21J9CCB
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50022076 (CHEMBL3297874) Show SMILES Cc1ccc2cc(CCC(=O)NC3=C(CCCC3)C(O)=O)ccc2n1 |t:12| Show InChI InChI=1S/C20H22N2O3/c1-13-6-9-15-12-14(7-10-17(15)21-13)8-11-19(23)22-18-5-3-2-4-16(18)20(24)25/h6-7,9-10,12H,2-5,8,11H2,1H3,(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	n/a	n/a	3.64E+4	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Agonist activity at human HCA2 receptor expressed in Flp-In-293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins				Bioorg Med Chem 22: 3654-69 (2014) Article DOI: 10.1016/j.bmc.2014.05.011 BindingDB Entry DOI: 10.7270/Q21J9CCB
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50271314 (2-(3-(6-hydroxynaphthalen-2-yl)propanamido)cyclohe...) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1ccc2cc(O)ccc2c1 |t:3| Show InChI InChI=1S/C20H21NO4/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/h5,7-9,11-12,22H,1-4,6,10H2,(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	1.90E+3	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Agonist activity at human HCA2 receptor expressed in Flp-In-293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins				Bioorg Med Chem 22: 3654-69 (2014) Article DOI: 10.1016/j.bmc.2014.05.011 BindingDB Entry DOI: 10.7270/Q21J9CCB
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50022064 (CHEMBL3298700) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)\C=C\c1ccc2ccccc2c1 |t:3| Show InChI InChI=1S/C20H19NO3/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/h1-2,5-6,9-13H,3-4,7-8H2,(H,21,22)(H,23,24)/b12-10+	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	4.50E+3	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Agonist activity at human HCA2 receptor expressed in Flp-In-293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins				Bioorg Med Chem 22: 3654-69 (2014) Article DOI: 10.1016/j.bmc.2014.05.011 BindingDB Entry DOI: 10.7270/Q21J9CCB
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50022065 (CHEMBL3299009) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)\C=C\c1ccc2ccccc2n1 |t:3| Show InChI InChI=1S/C19H18N2O3/c22-18(21-17-8-4-2-6-15(17)19(23)24)12-11-14-10-9-13-5-1-3-7-16(13)20-14/h1,3,5,7,9-12H,2,4,6,8H2,(H,21,22)(H,23,24)/b12-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Agonist activity at human HCA2 receptor expressed in Flp-In-293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins				Bioorg Med Chem 22: 3654-69 (2014) Article DOI: 10.1016/j.bmc.2014.05.011 BindingDB Entry DOI: 10.7270/Q21J9CCB
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50022066 (CHEMBL3299113) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)\C=C\C#Cc1ccccc1 |t:3| Show InChI InChI=1S/C18H17NO3/c20-17(13-7-4-10-14-8-2-1-3-9-14)19-16-12-6-5-11-15(16)18(21)22/h1-3,7-9,13H,5-6,11-12H2,(H,19,20)(H,21,22)/b13-7+	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	3.60E+3	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Agonist activity at human HCA2 receptor expressed in Flp-In-293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins				Bioorg Med Chem 22: 3654-69 (2014) Article DOI: 10.1016/j.bmc.2014.05.011 BindingDB Entry DOI: 10.7270/Q21J9CCB
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50022067 (CHEMBL484719) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1ccc2ccccc2c1 |t:3| Show InChI InChI=1S/C20H21NO3/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/h1-2,5-6,9,11,13H,3-4,7-8,10,12H2,(H,21,22)(H,23,24)	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	8.30E+3	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Agonist activity at human HCA2 receptor expressed in Flp-In-293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins				Bioorg Med Chem 22: 3654-69 (2014) Article DOI: 10.1016/j.bmc.2014.05.011 BindingDB Entry DOI: 10.7270/Q21J9CCB
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50022068 (CHEMBL3297875) Show SMILES COc1ccc2nc(Cl)c(CCC(=O)NC3=C(CCCC3)C(O)=O)cc2c1 |t:15| Show InChI InChI=1S/C20H21ClN2O4/c1-27-14-7-8-16-13(11-14)10-12(19(21)23-16)6-9-18(24)22-17-5-3-2-4-15(17)20(25)26/h7-8,10-11H,2-6,9H2,1H3,(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	4.10E+3	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Agonist activity at human HCA2 receptor expressed in Flp-In-293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins				Bioorg Med Chem 22: 3654-69 (2014) Article DOI: 10.1016/j.bmc.2014.05.011 BindingDB Entry DOI: 10.7270/Q21J9CCB
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50022069 (CHEMBL3299016) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)\C=C\c1cc2ccccc2nc1Cl |t:3| Show InChI InChI=1S/C19H17ClN2O3/c20-18-13(11-12-5-1-3-7-15(12)22-18)9-10-17(23)21-16-8-4-2-6-14(16)19(24)25/h1,3,5,7,9-11H,2,4,6,8H2,(H,21,23)(H,24,25)/b10-9+	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	2.74E+4	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Agonist activity at human HCA2 receptor expressed in Flp-In-293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins				Bioorg Med Chem 22: 3654-69 (2014) Article DOI: 10.1016/j.bmc.2014.05.011 BindingDB Entry DOI: 10.7270/Q21J9CCB
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50022070 (CHEMBL3299115) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)\C=C\c1ccc2OCCOc2c1 |t:3| Show InChI InChI=1S/C18H19NO5/c20-17(19-14-4-2-1-3-13(14)18(21)22)8-6-12-5-7-15-16(11-12)24-10-9-23-15/h5-8,11H,1-4,9-10H2,(H,19,20)(H,21,22)/b8-6+	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	6.80E+3	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Agonist activity at human HCA2 receptor expressed in Flp-In-293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins				Bioorg Med Chem 22: 3654-69 (2014) Article DOI: 10.1016/j.bmc.2014.05.011 BindingDB Entry DOI: 10.7270/Q21J9CCB
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50022071 (CHEMBL3299112) Show SMILES COc1ccc2nc(Cl)c(\C=C\C(=O)NC3=C(CCCC3)C(O)=O)cc2c1 |t:15| Show InChI InChI=1S/C20H19ClN2O4/c1-27-14-7-8-16-13(11-14)10-12(19(21)23-16)6-9-18(24)22-17-5-3-2-4-15(17)20(25)26/h6-11H,2-5H2,1H3,(H,22,24)(H,25,26)/b9-6+	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	6.30E+3	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Agonist activity at human HCA2 receptor expressed in Flp-In-293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins				Bioorg Med Chem 22: 3654-69 (2014) Article DOI: 10.1016/j.bmc.2014.05.011 BindingDB Entry DOI: 10.7270/Q21J9CCB
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50022072 (CHEMBL3299114) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)\C=C\c1ccc2OCOc2c1 |t:3| Show InChI InChI=1S/C17H17NO5/c19-16(18-13-4-2-1-3-12(13)17(20)21)8-6-11-5-7-14-15(9-11)23-10-22-14/h5-9H,1-4,10H2,(H,18,19)(H,20,21)/b8-6+	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	5.80E+3	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Agonist activity at human HCA2 receptor expressed in Flp-In-293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins				Bioorg Med Chem 22: 3654-69 (2014) Article DOI: 10.1016/j.bmc.2014.05.011 BindingDB Entry DOI: 10.7270/Q21J9CCB
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50022073 (CHEMBL3297876) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1ccc2OCOc2c1 |t:3| Show InChI InChI=1S/C17H19NO5/c19-16(18-13-4-2-1-3-12(13)17(20)21)8-6-11-5-7-14-15(9-11)23-10-22-14/h5,7,9H,1-4,6,8,10H2,(H,18,19)(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.16E+4	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Agonist activity at human HCA2 receptor expressed in Flp-In-293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins				Bioorg Med Chem 22: 3654-69 (2014) Article DOI: 10.1016/j.bmc.2014.05.011 BindingDB Entry DOI: 10.7270/Q21J9CCB
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50022074 (CHEMBL3297797) Show SMILES COc1ccc(\C=C\C(=O)NC2=C(CCCC2)C(O)=O)c(Cl)c1OC |t:11| Show InChI InChI=1S/C18H20ClNO5/c1-24-14-9-7-11(16(19)17(14)25-2)8-10-15(21)20-13-6-4-3-5-12(13)18(22)23/h7-10H,3-6H2,1-2H3,(H,20,21)(H,22,23)/b10-8+	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	2.63E+4	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Agonist activity at human HCA2 receptor expressed in Flp-In-293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins				Bioorg Med Chem 22: 3654-69 (2014) Article DOI: 10.1016/j.bmc.2014.05.011 BindingDB Entry DOI: 10.7270/Q21J9CCB
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50022075 (CHEMBL3298703) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 |r,t:3| Show InChI InChI=1S/C21H21NO3/c23-20(22-19-8-4-3-7-16(19)21(24)25)18-12-17(18)15-10-9-13-5-1-2-6-14(13)11-15/h1-2,5-6,9-11,17-18H,3-4,7-8,12H2,(H,22,23)(H,24,25)/t17-,18+/m0/s1	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	1.25E+4	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Agonist activity at human HCA2 receptor expressed in Flp-In-293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins				Bioorg Med Chem 22: 3654-69 (2014) Article DOI: 10.1016/j.bmc.2014.05.011 BindingDB Entry DOI: 10.7270/Q21J9CCB
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50022063 (CHEMBL3298702) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)C#Cc1ccc2cc(O)ccc2c1 |t:3| 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/h5,7-9,11-12,22H,1-4H2,(H,21,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Agonist activity at human HCA2 receptor expressed in Flp-In-293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins				Bioorg Med Chem 22: 3654-69 (2014) Article DOI: 10.1016/j.bmc.2014.05.011 BindingDB Entry DOI: 10.7270/Q21J9CCB
					More data for this Ligand-Target Pair