Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'duburs' 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
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50268969 (CHEMBL4063682) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCC#Cc1ccc(O)cc1 |t:3| Show InChI InChI=1S/C18H19NO4/c20-14-11-9-13(10-12-14)5-1-4-8-17(21)19-16-7-3-2-6-15(16)18(22)23/h9-12,20H,2-4,6-8H2,(H,19,21)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50268977 (CHEMBL4073322) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)\C=C\C#Cc1ccccc1F |t:3| Show InChI InChI=1S/C18H16FNO3/c19-15-10-4-1-7-13(15)8-2-6-12-17(21)20-16-11-5-3-9-14(16)18(22)23/h1,4,6-7,10,12H,3,5,9,11H2,(H,20,21)(H,22,23)/b12-6+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50268988 (CHEMBL3589836) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1ccc(cc1)-c1ccc(O)cc1 |t:3| Show InChI InChI=1S/C22H23NO4/c24-18-12-10-17(11-13-18)16-8-5-15(6-9-16)7-14-21(25)23-20-4-2-1-3-19(20)22(26)27/h5-6,8-13,24H,1-4,7,14H2,(H,23,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50268967 (CHEMBL4065654) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)\C=C\C#Cc1ccc(O)cc1 |t:3| Show InChI InChI=1S/C18H17NO4/c20-14-11-9-13(10-12-14)5-1-4-8-17(21)19-16-7-3-2-6-15(16)18(22)23/h4,8-12,20H,2-3,6-7H2,(H,19,21)(H,22,23)/b8-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50268972 (CHEMBL4060899) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCC#Cc1ccc(O)cc1F |t:3| Show InChI InChI=1S/C18H18FNO4/c19-15-11-13(21)10-9-12(15)5-1-4-8-17(22)20-16-7-3-2-6-14(16)18(23)24/h9-11,21H,2-4,6-8H2,(H,20,22)(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50268992 (CHEMBL4083762) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1ccc(cc1)-c1cccc(O)c1 |t:3| Show InChI InChI=1S/C22H23NO4/c24-18-5-3-4-17(14-18)16-11-8-15(9-12-16)10-13-21(25)23-20-7-2-1-6-19(20)22(26)27/h3-5,8-9,11-12,14,24H,1-2,6-7,10,13H2,(H,23,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50268959 (CHEMBL4069406) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)\C=C\C#Cc1ccccc1O |t:3| Show InChI InChI=1S/C18H17NO4/c20-16-11-5-1-7-13(16)8-2-6-12-17(21)19-15-10-4-3-9-14(15)18(22)23/h1,5-7,11-12,20H,3-4,9-10H2,(H,19,21)(H,22,23)/b12-6+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50268991 (CHEMBL4076822) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1ccc(cc1)-c1ccccc1O |t:3| Show InChI InChI=1S/C22H23NO4/c24-20-8-4-2-5-17(20)16-12-9-15(10-13-16)11-14-21(25)23-19-7-3-1-6-18(19)22(26)27/h2,4-5,8-10,12-13,24H,1,3,6-7,11,14H2,(H,23,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50268970 (CHEMBL4099238) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCC#Cc1ccccc1Cl |t:3| Show InChI InChI=1S/C18H18ClNO3/c19-15-10-4-1-7-13(15)8-2-6-12-17(21)20-16-11-5-3-9-14(16)18(22)23/h1,4,7,10H,3,5-6,9,11-12H2,(H,20,21)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50268978 (CHEMBL4064786) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1ccc(cc1)-c1ccc(O)cc1F |t:3| Show InChI InChI=1S/C22H22FNO4/c23-19-13-16(25)10-11-17(19)15-8-5-14(6-9-15)7-12-21(26)24-20-4-2-1-3-18(20)22(27)28/h5-6,8-11,13,25H,1-4,7,12H2,(H,24,26)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50268971 (CHEMBL4072283) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCC#Cc1ccccc1F |t:3| Show InChI InChI=1S/C18H18FNO3/c19-15-10-4-1-7-13(15)8-2-6-12-17(21)20-16-11-5-3-9-14(16)18(22)23/h1,4,7,10H,3,5-6,9,11-12H2,(H,20,21)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50268989 (CHEMBL4073374) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1ccc(cc1)-c1ccccc1Cl |t:3| Show InChI InChI=1S/C22H22ClNO3/c23-19-7-3-1-5-17(19)16-12-9-15(10-13-16)11-14-21(25)24-20-8-4-2-6-18(20)22(26)27/h1,3,5,7,9-10,12-13H,2,4,6,8,11,14H2,(H,24,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50268973 (CHEMBL4082765) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCC#Cc1ccc(O)cc1Cl |t:3| Show InChI InChI=1S/C18H18ClNO4/c19-15-11-13(21)10-9-12(15)5-1-4-8-17(22)20-16-7-3-2-6-14(16)18(23)24/h9-11,21H,2-4,6-8H2,(H,20,22)(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50268968 (CHEMBL4093294) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)\C=C\C#Cc1ccccc1Cl |t:3| Show InChI InChI=1S/C18H16ClNO3/c19-15-10-4-1-7-13(15)8-2-6-12-17(21)20-16-11-5-3-9-14(16)18(22)23/h1,4,6-7,10,12H,3,5,9,11H2,(H,20,21)(H,22,23)/b12-6+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50268980 (CHEMBL4091501) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCC#Cc1cccc(O)c1 |t:3| Show InChI InChI=1S/C18H19NO4/c20-14-8-5-7-13(12-14)6-1-4-11-17(21)19-16-10-3-2-9-15(16)18(22)23/h5,7-8,12,20H,2-4,9-11H2,(H,19,21)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50268987 (CHEMBL4101720) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCC#Cc1ccccc1O |t:3| Show InChI InChI=1S/C18H19NO4/c20-16-11-5-1-7-13(16)8-2-6-12-17(21)19-15-10-4-3-9-14(15)18(22)23/h1,5,7,11,20H,3-4,6,9-10,12H2,(H,19,21)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	229	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50268979 (CHEMBL4100231) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1ccc(cc1)-c1ccccc1F |t:3| Show InChI InChI=1S/C22H22FNO3/c23-19-7-3-1-5-17(19)16-12-9-15(10-13-16)11-14-21(25)24-20-8-4-2-6-18(20)22(26)27/h1,3,5,7,9-10,12-13H,2,4,6,8,11,14H2,(H,24,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	282	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50268990 (CHEMBL4091542) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCC#Cc1ccc(F)cc1 |t:3| Show InChI InChI=1S/C18H18FNO3/c19-14-11-9-13(10-12-14)5-1-4-8-17(21)20-16-7-3-2-6-15(16)18(22)23/h9-12H,2-4,6-8H2,(H,20,21)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	291	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					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	327	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50268976 (CHEMBL4093990) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)\C=C\C#Cc1ccc(O)cc1F |t:3| Show InChI InChI=1S/C18H16FNO4/c19-15-11-13(21)10-9-12(15)5-1-4-8-17(22)20-16-7-3-2-6-14(16)18(23)24/h4,8-11,21H,2-3,6-7H2,(H,20,22)(H,23,24)/b8-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50268960 (CHEMBL4096635) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)\C=C\C#Cc1cccc(O)c1 |t:3| Show InChI InChI=1S/C18H17NO4/c20-14-8-5-7-13(12-14)6-1-4-11-17(21)19-16-10-3-2-9-15(16)18(22)23/h4-5,7-8,11-12,20H,2-3,9-10H2,(H,19,21)(H,22,23)/b11-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	383	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50268974 (CHEMBL4099278) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCC#Cc1ccc(O)cn1 |t:3| Show InChI InChI=1S/C17H18N2O4/c20-13-10-9-12(18-11-13)5-1-4-8-16(21)19-15-7-3-2-6-14(15)17(22)23/h9-11,20H,2-4,6-8H2,(H,19,21)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	665	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50268958 (CHEMBL4083723) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)\C=C\CCc1ccccc1 |t:3| Show InChI InChI=1S/C18H21NO3/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,4-6,10-12H2,(H,19,20)(H,21,22)/b13-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50268975 (CHEMBL4081260) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCC#Cc1ccc(cc1)C(O)=O |t:3| Show InChI InChI=1S/C19H19NO5/c21-17(20-16-7-3-2-6-15(16)19(24)25)8-4-1-5-13-9-11-14(12-10-13)18(22)23/h9-12H,2-4,6-8H2,(H,20,21)(H,22,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...				Bioorg Med Chem 25: 4314-4329 (2017) Article DOI: 10.1016/j.bmc.2017.06.028 BindingDB Entry DOI: 10.7270/Q2D22140
					More data for this Ligand-Target Pair
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))	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
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))	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
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50030659 (CHEMBL3342116) Show SMILES CCOC(=O)c1c(C)nc2sc(C(=O)c3ccccc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C27H26N2O6S/c1-6-35-27(31)19-14(2)29-26-21(22(28)25(36-26)23(30)15-10-8-7-9-11-15)20(19)16-12-17(32-3)24(34-5)18(13-16)33-4/h7-13H,6,28H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50030661 (CHEMBL3342117) Show SMILES CCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C28H28N2O7S/c1-7-37-28(32)20-14(2)30-27-22(21(20)16-12-18(34-4)25(36-6)19(13-16)35-5)23(29)26(38-27)24(31)15-8-10-17(33-3)11-9-15/h8-13H,7,29H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50030671 (CHEMBL3342118) Show SMILES CCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C29H30N2O8S/c1-8-39-29(33)21-14(2)31-28-23(22(21)15-11-19(36-5)26(38-7)20(12-15)37-6)24(30)27(40-28)25(32)17-10-9-16(34-3)13-18(17)35-4/h9-13H,8,30H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50030672 (CHEMBL3342123) Show SMILES COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccccc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C28H28N2O7S/c1-15-20(28(32)37-12-11-33-2)21(17-13-18(34-3)25(36-5)19(14-17)35-4)22-23(29)26(38-27(22)30-15)24(31)16-9-7-6-8-10-16/h6-10,13-14H,11-12,29H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50030673 (CHEMBL3342124) Show SMILES COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C29H30N2O8S/c1-15-21(29(33)39-12-11-34-2)22(17-13-19(36-4)26(38-6)20(14-17)37-5)23-24(30)27(40-28(23)31-15)25(32)16-7-9-18(35-3)10-8-16/h7-10,13-14H,11-12,30H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50030675 (CHEMBL3342125) Show SMILES COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C30H32N2O9S/c1-15-22(30(34)41-11-10-35-2)23(16-12-20(38-5)27(40-7)21(13-16)39-6)24-25(31)28(42-29(24)32-15)26(33)18-9-8-17(36-3)14-19(18)37-4/h8-9,12-14H,10-11,31H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM81939 (CAS_52-53-9 | NSC_62969 | VERAPAMIL) Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	3.73E+4	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50030677 (CHEMBL3344541) Show SMILES COc1ccc(cc1)C(=O)c1sc2nc(C)c(C(C)=O)c(-c3cc(OC)c(OC)c(OC)c3)c2c1N Show InChI InChI=1S/C27H26N2O6S/c1-13-20(14(2)30)21(16-11-18(33-4)25(35-6)19(12-16)34-5)22-23(28)26(36-27(22)29-13)24(31)15-7-9-17(32-3)10-8-15/h7-12H,28H2,1-6H3	PDB NCI pathway 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	2.60E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50030678 (CHEMBL3344542) Show SMILES COC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1ccc(OC)cc1 Show InChI InChI=1S/C25H22N2O5S/c1-13-18(25(29)32-4)19(14-5-9-16(30-2)10-6-14)20-21(26)23(33-24(20)27-13)22(28)15-7-11-17(31-3)12-8-15/h5-12H,26H2,1-4H3	PDB NCI pathway 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	700	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50030679 (CHEMBL3344543) Show SMILES COC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C26H24N2O6S/c1-13-19(26(30)34-5)20(15-8-11-17(32-3)18(12-15)33-4)21-22(27)24(35-25(21)28-13)23(29)14-6-9-16(31-2)10-7-14/h6-12H,27H2,1-5H3	PDB NCI pathway 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	3.60E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair

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