Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'berggren' and Initial = 'k'   

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
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM35870 (5,6-bis-(4-bromo-phenyl)-pyrazine-2-carboxylicacid...) Show SMILES Brc1ccc(cc1)-c1ncc(nc1-c1ccc(Br)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H20Br2N4O/c23-17-8-4-15(5-9-17)20-21(16-6-10-18(24)11-7-16)26-19(14-25-20)22(29)27-28-12-2-1-3-13-28/h4-11,14H,1-3,12-13H2,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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	7.4	30
AstraZeneca					Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d...				Bioorg Med Chem 15: 4077-84 (2007) Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG 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	30
AstraZeneca					Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d...				Bioorg Med Chem 15: 4077-84 (2007) Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM35873 (5,6-bis(4-chlorophenyl)-N-(piperidin-1-yl)pyrazine...) Show SMILES Clc1ccc(cc1)-c1ncc(nc1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H20Cl2N4O/c23-17-8-4-15(5-9-17)20-21(16-6-10-18(24)11-7-16)26-19(14-25-20)22(29)27-28-12-2-1-3-13-28/h4-11,14H,1-3,12-13H2,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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	7.4	30
AstraZeneca					Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d...				Bioorg Med Chem 15: 4077-84 (2007) Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM35871 (5,6-di-p-tolyl-pyrazine-2-carboxylic acid piperidi...) Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C24H26N4O/c1-17-6-10-19(11-7-17)22-23(20-12-8-18(2)9-13-20)26-21(16-25-22)24(29)27-28-14-4-3-5-15-28/h6-13,16H,3-5,14-15H2,1-2H3,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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	7.4	30
AstraZeneca					Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d...				Bioorg Med Chem 15: 4077-84 (2007) Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50539662 (CHEMBL4641579) Show SMILES CCOc1cc(Cl)c(cc1-n1cccn1)C(=O)NC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)C1CCN(C)CC1 Show InChI InChI=1S/C26H27ClN6O5S2/c1-3-38-22-15-19(27)18(14-21(22)33-10-4-9-28-33)24(34)30-25(35)31-26-29-20-6-5-17(13-23(20)39-26)40(36,37)16-7-11-32(2)12-8-16/h4-6,9-10,13-16H,3,7-8,11-12H2,1-2H3,(H2,29,30,31,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE 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 Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM35877 (5,6-bis-(4-methoxy-phenyl)-pyrazine-2-carboxylicac...) Show SMILES COc1ccc(cc1)-c1ncc(nc1-c1ccc(OC)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C25H27N3O3/c1-30-20-12-8-17(9-13-20)23-24(18-10-14-21(31-2)15-11-18)28-22(16-26-23)25(29)27-19-6-4-3-5-7-19/h8-16,19H,3-7H2,1-2H3,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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	7.4	30
AstraZeneca					Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d...				Bioorg Med Chem 15: 4077-84 (2007) Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM35868 (5,6-diaryl-pyrazine-2-amide derivative, 2b | 6-(4-...) Show SMILES Clc1ccc(cc1)-c1nc(cnc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H19Cl3N4O/c23-15-6-4-14(5-7-15)20-21(17-9-8-16(24)12-18(17)25)26-13-19(27-20)22(30)28-29-10-2-1-3-11-29/h4-9,12-13H,1-3,10-11H2,(H,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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	7.4	30
AstraZeneca					Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d...				Bioorg Med Chem 15: 4077-84 (2007) Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM35875 (5,6-bis-(4-bromo-phenyl)-pyrazine-2-carboxylicacid...) Show SMILES Brc1ccc(cc1)-c1ncc(nc1-c1ccc(Br)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H21Br2N3O/c24-17-10-6-15(7-11-17)21-22(16-8-12-18(25)13-9-16)28-20(14-26-21)23(29)27-19-4-2-1-3-5-19/h6-14,19H,1-5H2,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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	7.4	30
AstraZeneca					Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d...				Bioorg Med Chem 15: 4077-84 (2007) Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM35876 (5,6-di-p-tolyl-pyrazine-2-carboxylic acid cyclohex...) Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C25H27N3O/c1-17-8-12-19(13-9-17)23-24(20-14-10-18(2)11-15-20)28-22(16-26-23)25(29)27-21-6-4-3-5-7-21/h8-16,21H,3-7H2,1-2H3,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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	7.4	30
AstraZeneca					Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d...				Bioorg Med Chem 15: 4077-84 (2007) Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM35878 (5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-car...) Show SMILES Clc1ccc(cc1)-c1ncc(nc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H21Cl2N3O/c24-17-10-6-15(7-11-17)21-22(16-8-12-18(25)13-9-16)28-20(14-26-21)23(29)27-19-4-2-1-3-5-19/h6-14,19H,1-5H2,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	7.4	30
AstraZeneca					Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d...				Bioorg Med Chem 15: 4077-84 (2007) Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM35872 (5,6-bis(4-methoxyphenyl)-N-(piperidin-1-yl)pyrazin...) Show SMILES COc1ccc(cc1)-c1ncc(nc1-c1ccc(OC)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C24H26N4O3/c1-30-19-10-6-17(7-11-19)22-23(18-8-12-20(31-2)13-9-18)26-21(16-25-22)24(29)27-28-14-4-3-5-15-28/h6-13,16H,3-5,14-15H2,1-2H3,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	7.4	30
AstraZeneca					Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d...				Bioorg Med Chem 15: 4077-84 (2007) Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM35883 (5,6-bis-(4-chloro-phenyl)-pyrazine-2-carboxylicaci...) Show SMILES Clc1ccc(cc1)-c1ncc(nc1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C23H15Cl2N3O/c24-17-10-6-15(7-11-17)21-22(16-8-12-18(25)13-9-16)28-20(14-26-21)23(29)27-19-4-2-1-3-5-19/h1-14H,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.4	30
AstraZeneca					Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d...				Bioorg Med Chem 15: 4077-84 (2007) Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM35867 (5,6-diaryl-pyrazine-2-amide derivative, 2a | 5-(4-...) Show SMILES Clc1ccc(cc1)-c1ncc(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H19Cl3N4O/c23-15-6-4-14(5-7-15)20-21(17-9-8-16(24)12-18(17)25)27-19(13-26-20)22(30)28-29-10-2-1-3-11-29/h4-9,12-13H,1-3,10-11H2,(H,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	7.4	30
AstraZeneca					Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d...				Bioorg Med Chem 15: 4077-84 (2007) Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM35882 (5,6-bis(4-methoxyphenyl)-N-phenylpyrazine-2-carbox...) Show SMILES COc1ccc(cc1)-c1ncc(nc1-c1ccc(OC)cc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C25H21N3O3/c1-30-20-12-8-17(9-13-20)23-24(18-10-14-21(31-2)15-11-18)28-22(16-26-23)25(29)27-19-6-4-3-5-7-19/h3-16H,1-2H3,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	7.4	30
AstraZeneca					Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d...				Bioorg Med Chem 15: 4077-84 (2007) Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM35874 (5,6-bis(2-chlorophenyl)-N-(piperidin-1-yl)pyrazine...) Show SMILES Clc1ccccc1-c1ncc(nc1-c1ccccc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H20Cl2N4O/c23-17-10-4-2-8-15(17)20-21(16-9-3-5-11-18(16)24)26-19(14-25-20)22(29)27-28-12-6-1-7-13-28/h2-5,8-11,14H,1,6-7,12-13H2,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	174	n/a	n/a	n/a	n/a	7.4	30
AstraZeneca					Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d...				Bioorg Med Chem 15: 4077-84 (2007) Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM35881 (5,6-di-p-tolyl-pyrazine-2-carboxylic acid phenylam...) Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C25H21N3O/c1-17-8-12-19(13-9-17)23-24(20-14-10-18(2)11-15-20)28-22(16-26-23)25(29)27-21-6-4-3-5-7-21/h3-16H,1-2H3,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	326	n/a	n/a	n/a	n/a	7.4	30
AstraZeneca					Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d...				Bioorg Med Chem 15: 4077-84 (2007) Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50539689 (CHEMBL4642043) Show SMILES CCOc1cc(Cl)c(cc1N1CCOCC1)-c1ccc(-c2nc3ccc(cc3s2)S(=O)(=O)C2CCN(C)CC2)c(=O)[nH]1 Show InChI InChI=1S/C30H33ClN4O5S2/c1-3-40-27-18-23(31)22(17-26(27)35-12-14-39-15-13-35)24-7-5-21(29(36)32-24)30-33-25-6-4-20(16-28(25)41-30)42(37,38)19-8-10-34(2)11-9-19/h4-7,16-19H,3,8-15H2,1-2H3,(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM35884 (5,6-bis-(2-chloro-phenyl)-pyrazine-2-carboxylicaci...) Show SMILES Clc1ccccc1-c1ncc(nc1-c1ccccc1Cl)C(=O)Nc1ccccc1 Show InChI InChI=1S/C23H15Cl2N3O/c24-18-12-6-4-10-16(18)21-22(17-11-5-7-13-19(17)25)28-20(14-26-21)23(29)27-15-8-2-1-3-9-15/h1-14H,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	763	n/a	n/a	n/a	n/a	7.4	30
AstraZeneca					Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d...				Bioorg Med Chem 15: 4077-84 (2007) Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM35869 (5,6-diaryl-pyrazine-2-amide derivative, 5a | 5,6-d...) Show SMILES O=C(NN1CCCCC1)c1cnc(-c2ccccc2)c(n1)-c1ccccc1 Show InChI InChI=1S/C22H22N4O/c27-22(25-26-14-8-3-9-15-26)19-16-23-20(17-10-4-1-5-11-17)21(24-19)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2,(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	766	n/a	n/a	n/a	n/a	7.4	30
AstraZeneca					Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d...				Bioorg Med Chem 15: 4077-84 (2007) Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50539663 (CHEMBL4632411) Show SMILES CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)NC(=O)Nc1nc2ccc(CN3CCN(C)CC3)cc2s1 Show InChI InChI=1S/C27H33ClN6O4S/c1-3-38-23-16-20(28)19(15-22(23)34-10-12-37-13-11-34)25(35)30-26(36)31-27-29-21-5-4-18(14-24(21)39-27)17-33-8-6-32(2)7-9-33/h4-5,14-16H,3,6-13,17H2,1-2H3,(H2,29,30,31,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50539685 (CHEMBL4649089) Show SMILES CCOc1cc(Cl)c(cc1N1CCOCC1)-c1ccc(-c2nc3ccccc3s2)c(=O)[nH]1 Show InChI InChI=1S/C24H22ClN3O3S/c1-2-31-21-14-17(25)16(13-20(21)28-9-11-30-12-10-28)18-8-7-15(23(29)26-18)24-27-19-5-3-4-6-22(19)32-24/h3-8,13-14H,2,9-12H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM35879 (5,6-bis-(2-chloro-phenyl)-pyrazine-2-carboxylicaci...) Show SMILES Clc1ccccc1-c1ncc(nc1-c1ccccc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H21Cl2N3O/c24-18-12-6-4-10-16(18)21-22(17-11-5-7-13-19(17)25)28-20(14-26-21)23(29)27-15-8-2-1-3-9-15/h4-7,10-15H,1-3,8-9H2,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	7.4	30
AstraZeneca					Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d...				Bioorg Med Chem 15: 4077-84 (2007) Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50539687 (CHEMBL4635089) Show SMILES CCOc1cc(Cl)c(cc1N1CCOCC1)-c1ccc(-c2nc3CCN(Cc3s2)C(=O)CO)c(=O)[nH]1 Show InChI InChI=1S/C25H27ClN4O5S/c1-2-35-21-12-17(26)16(11-20(21)29-7-9-34-10-8-29)18-4-3-15(24(33)27-18)25-28-19-5-6-30(23(32)14-31)13-22(19)36-25/h3-4,11-12,31H,2,5-10,13-14H2,1H3,(H,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM35880 (5,6-diaryl-pyrazine-2-amide derivative, 7a | 5,6-d...) Show SMILES O=C(Nc1ccccc1)c1cnc(-c2ccccc2)c(n1)-c1ccccc1 Show InChI InChI=1S/C23H17N3O/c27-23(25-19-14-8-3-9-15-19)20-16-24-21(17-10-4-1-5-11-17)22(26-20)18-12-6-2-7-13-18/h1-16H,(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.79E+3	n/a	n/a	n/a	n/a	7.4	30
AstraZeneca					Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d...				Bioorg Med Chem 15: 4077-84 (2007) Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50539683 (CHEMBL4635119) Show SMILES CCOc1cc(Cl)c(CNC(=O)Nc2nc3ccc(CN4CCN(C)CC4)cc3s2)cc1N1CCOCC1 Show InChI InChI=1S/C27H35ClN6O3S/c1-3-37-24-16-21(28)20(15-23(24)34-10-12-36-13-11-34)17-29-26(35)31-27-30-22-5-4-19(14-25(22)38-27)18-33-8-6-32(2)7-9-33/h4-5,14-16H,3,6-13,17-18H2,1-2H3,(H2,29,30,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50539686 (CHEMBL4644587) Show SMILES CCOc1cc(Cl)c(cc1N1CCOCC1)-c1ncc(-c2nc3ccccc3s2)c(=O)[nH]1 Show InChI InChI=1S/C23H21ClN4O3S/c1-2-31-19-12-16(24)14(11-18(19)28-7-9-30-10-8-28)21-25-13-15(22(29)27-21)23-26-17-5-3-4-6-20(17)32-23/h3-6,11-13H,2,7-10H2,1H3,(H,25,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50539696 (CHEMBL4641503) Show SMILES CCOc1cc(Cl)c(cc1N1C[C@H](C)O[C@@H](C)C1)C(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)CCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C30H40ClN5O5S2/c1-5-40-27-17-24(31)23(16-26(27)36-18-20(2)41-21(3)19-36)29(37)33-30-32-25-8-7-22(15-28(25)42-30)43(38,39)14-6-9-35-12-10-34(4)11-13-35/h7-8,15-17,20-21H,5-6,9-14,18-19H2,1-4H3,(H,32,33,37)/t20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50539690 (CHEMBL4645314) Show SMILES CCOc1cc(Cl)c(cc1N1CCOCC1)-c1ncc(-c2nc3ccc(cc3s2)S(=O)(=O)C2CCN(C)CC2)c(=O)[nH]1 Show InChI InChI=1S/C29H32ClN5O5S2/c1-3-40-25-16-22(30)20(15-24(25)35-10-12-39-13-11-35)27-31-17-21(28(36)33-27)29-32-23-5-4-19(14-26(23)41-29)42(37,38)18-6-8-34(2)9-7-18/h4-5,14-18H,3,6-13H2,1-2H3,(H,31,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50539695 (CHEMBL4649741) Show SMILES CCOc1cc(Cl)c(cc1N1CCO[C@H](C)C1)C(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)CCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C29H38ClN5O5S2/c1-4-39-26-18-23(30)22(17-25(26)35-13-14-40-20(2)19-35)28(36)32-29-31-24-7-6-21(16-27(24)41-29)42(37,38)15-5-8-34-11-9-33(3)10-12-34/h6-7,16-18,20H,4-5,8-15,19H2,1-3H3,(H,31,32,36)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50539697 (CHEMBL4636832) Show SMILES CCOc1cc(Cl)c(cc1N1C[C@H](C)O[C@H](C)C1)C(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)CCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C30H40ClN5O5S2/c1-5-40-27-17-24(31)23(16-26(27)36-18-20(2)41-21(3)19-36)29(37)33-30-32-25-8-7-22(15-28(25)42-30)43(38,39)14-6-9-35-12-10-34(4)11-13-35/h7-8,15-17,20-21H,5-6,9-14,18-19H2,1-4H3,(H,32,33,37)/t20-,21+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50539693 (CHEMBL4646005) Show SMILES CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)Nc1nc2ccc(OC3CCN(C)CC3)cc2s1 Show InChI InChI=1S/C26H31ClN4O4S/c1-3-34-23-16-20(27)19(15-22(23)31-10-12-33-13-11-31)25(32)29-26-28-21-5-4-18(14-24(21)36-26)35-17-6-8-30(2)9-7-17/h4-5,14-17H,3,6-13H2,1-2H3,(H,28,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50539691 (CHEMBL4642179) Show SMILES CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)Nc1nc2ccc(CN3CCN(C)CC3)cc2s1 Show InChI InChI=1S/C26H32ClN5O3S/c1-3-35-23-16-20(27)19(15-22(23)32-10-12-34-13-11-32)25(33)29-26-28-21-5-4-18(14-24(21)36-26)17-31-8-6-30(2)7-9-31/h4-5,14-16H,3,6-13,17H2,1-2H3,(H,28,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50539692 (CHEMBL4638676) Show SMILES CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)C1CCN(C)CC1 Show InChI InChI=1S/C26H31ClN4O5S2/c1-3-36-23-16-20(27)19(15-22(23)31-10-12-35-13-11-31)25(32)29-26-28-21-5-4-18(14-24(21)37-26)38(33,34)17-6-8-30(2)9-7-17/h4-5,14-17H,3,6-13H2,1-2H3,(H,28,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50539694 (CHEMBL4633635) Show SMILES CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)CCCN1CCN(C)CC1 Show InChI InChI=1S/C28H36ClN5O5S2/c1-3-39-25-19-22(29)21(18-24(25)34-12-14-38-15-13-34)27(35)31-28-30-23-6-5-20(17-26(23)40-28)41(36,37)16-4-7-33-10-8-32(2)9-11-33/h5-6,17-19H,3-4,7-16H2,1-2H3,(H,30,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50539684 (CHEMBL4641120) Show SMILES CCOc1cc(Cl)c(NC(=O)Nc2nc3ccc(CN4CCN(C)CC4)cc3s2)cc1N1CCOCC1 Show InChI InChI=1S/C26H33ClN6O3S/c1-3-36-23-15-19(27)21(16-22(23)33-10-12-35-13-11-33)28-25(34)30-26-29-20-5-4-18(14-24(20)37-26)17-32-8-6-31(2)7-9-32/h4-5,14-16H,3,6-13,17H2,1-2H3,(H2,28,29,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50539682 (CHEMBL4642413) Show SMILES CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)N(C)C(=O)Nc1nc2ccc(CN3CCN(C)CC3)cc2s1 Show InChI InChI=1S/C28H35ClN6O4S/c1-4-39-24-17-21(29)20(16-23(24)35-11-13-38-14-12-35)26(36)33(3)28(37)31-27-30-22-6-5-19(15-25(22)40-27)18-34-9-7-32(2)8-10-34/h5-6,15-17H,4,7-14,18H2,1-3H3,(H,30,31,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50539698 (CHEMBL4641449) Show SMILES CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)Nc1nc2ccccc2s1 Show InChI InChI=1S/C20H20ClN3O3S/c1-2-27-17-12-14(21)13(11-16(17)24-7-9-26-10-8-24)19(25)23-20-22-15-5-3-4-6-18(15)28-20/h3-6,11-12H,2,7-10H2,1H3,(H,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50539688 (CHEMBL4638263) Show SMILES CCOc1cc(Cl)c(cc1N1CCOCC1)-c1ccc(-c2nc3CCN(Cc3s2)C(=O)COC)c(=O)[nH]1 Show InChI InChI=1S/C26H29ClN4O5S/c1-3-36-22-13-18(27)17(12-21(22)30-8-10-35-11-9-30)19-5-4-16(25(33)28-19)26-29-20-6-7-31(14-23(20)37-26)24(32)15-34-2/h4-5,12-13H,3,6-11,14-15H2,1-2H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 1 (Homo sapiens (Human))	BDBM50539662 (CHEMBL4641579) Show SMILES CCOc1cc(Cl)c(cc1-n1cccn1)C(=O)NC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)C1CCN(C)CC1 Show InChI InChI=1S/C26H27ClN6O5S2/c1-3-38-22-15-19(27)18(14-21(22)33-10-4-9-28-33)24(34)30-25(35)31-26-29-20-6-5-17(13-23(20)39-26)40(36,37)16-7-11-32(2)12-8-16/h4-6,9-10,13-16H,3,7-8,11-12H2,1-2H3,(H2,29,30,31,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR81 overexpressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 1 (Homo sapiens (Human))	BDBM50539663 (CHEMBL4632411) Show SMILES CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)NC(=O)Nc1nc2ccc(CN3CCN(C)CC3)cc2s1 Show InChI InChI=1S/C27H33ClN6O4S/c1-3-38-23-16-20(28)19(15-22(23)34-10-12-37-13-11-34)25(35)30-26(36)31-27-29-21-5-4-18(14-24(21)39-27)17-33-8-6-32(2)7-9-33/h4-5,14-16H,3,6-13,17H2,1-2H3,(H2,29,30,31,35,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	74	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR81 overexpressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 1 (Homo sapiens (Human))	BDBM50539664 (CHEMBL4647314) Show SMILES CCOc1cc(C)c(cc1N1CCOCC1)C(=O)NC(=O)Nc1nc2ccc(CN3CCN(C)CC3)cc2s1 Show InChI InChI=1S/C28H36N6O4S/c1-4-38-24-15-19(2)21(17-23(24)34-11-13-37-14-12-34)26(35)30-27(36)31-28-29-22-6-5-20(16-25(22)39-28)18-33-9-7-32(3)8-10-33/h5-6,15-17H,4,7-14,18H2,1-3H3,(H2,29,30,31,35,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.70E+3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR81 overexpressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 1 (Homo sapiens (Human))	BDBM50539665 (CHEMBL4637486) Show SMILES CCOc1cc(c(cc1N1CCOCC1)C(=O)NC(=O)Nc1nc2ccc(CN3CCN(C)CC3)cc2s1)C(F)(F)F Show InChI InChI=1S/C28H33F3N6O4S/c1-3-41-23-16-20(28(29,30)31)19(15-22(23)37-10-12-40-13-11-37)25(38)33-26(39)34-27-32-21-5-4-18(14-24(21)42-27)17-36-8-6-35(2)7-9-36/h4-5,14-16H,3,6-13,17H2,1-2H3,(H2,32,33,34,38,39)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR81 overexpressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 1 (Homo sapiens (Human))	BDBM50539666 (CHEMBL4641372) Show SMILES CCOc1ccc(cc1N1CCOCC1)C(=O)NC(=O)Nc1nc2ccc(CN3CCN(C)CC3)cc2s1 Show InChI InChI=1S/C27H34N6O4S/c1-3-37-23-7-5-20(17-22(23)33-12-14-36-15-13-33)25(34)29-26(35)30-27-28-21-6-4-19(16-24(21)38-27)18-32-10-8-31(2)9-11-32/h4-7,16-17H,3,8-15,18H2,1-2H3,(H2,28,29,30,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	740	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR81 overexpressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 1 (Homo sapiens (Human))	BDBM50539667 (CHEMBL4646399) Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(c(C)cc3Cl)-n3cccn3)sc2c1 Show InChI InChI=1S/C25H25ClN6O4S2/c1-15-12-19(26)18(14-21(15)32-9-3-8-27-32)23(33)29-24(34)30-25-28-20-5-4-17(13-22(20)37-25)38(35,36)16-6-10-31(2)11-7-16/h3-5,8-9,12-14,16H,6-7,10-11H2,1-2H3,(H2,28,29,30,33,34)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR81 overexpressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 1 (Homo sapiens (Human))	BDBM50539668 (CHEMBL4637505) Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(c(F)cc3Cl)-n3cccn3)sc2c1 Show InChI InChI=1S/C24H22ClFN6O4S2/c1-31-9-5-14(6-10-31)38(35,36)15-3-4-19-21(11-15)37-24(28-19)30-23(34)29-22(33)16-12-20(18(26)13-17(16)25)32-8-2-7-27-32/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H2,28,29,30,33,34)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR81 overexpressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 1 (Homo sapiens (Human))	BDBM50047422 (CHEMBL3319403) Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)-n3cccn3)sc2c1 Show InChI InChI=1S/C24H23ClN6O4S2/c1-30-11-7-16(8-12-30)37(34,35)17-4-6-20-21(14-17)36-24(27-20)29-23(33)28-22(32)18-13-15(3-5-19(18)25)31-10-2-9-26-31/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H2,27,28,29,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR81 overexpressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 1 (Homo sapiens (Human))	BDBM50539669 (CHEMBL4649373) Show SMILES CCOc1cc(Cl)c(cc1N1CCO[C@H](C)C1)C(=O)NC(=O)Nc1nc2ccc(CN3CCN(C)CC3)cc2s1 |r| Show InChI InChI=1S/C28H35ClN6O4S/c1-4-38-24-15-21(29)20(14-23(24)35-11-12-39-18(2)16-35)26(36)31-27(37)32-28-30-22-6-5-19(13-25(22)40-28)17-34-9-7-33(3)8-10-34/h5-6,13-15,18H,4,7-12,16-17H2,1-3H3,(H2,30,31,32,36,37)/t18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR81 overexpressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 1 (Homo sapiens (Human))	BDBM50539670 (CHEMBL4632482) Show SMILES CCOc1cc(Cl)c(cc1N1CCCC1)C(=O)NC(=O)Nc1nc2ccc(CN3CCN(C)CC3)cc2s1 Show InChI InChI=1S/C27H33ClN6O3S/c1-3-37-23-16-20(28)19(15-22(23)34-8-4-5-9-34)25(35)30-26(36)31-27-29-21-7-6-18(14-24(21)38-27)17-33-12-10-32(2)11-13-33/h6-7,14-16H,3-5,8-13,17H2,1-2H3,(H2,29,30,31,35,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR81 overexpressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 1 (Homo sapiens (Human))	BDBM50539671 (CHEMBL4641219) Show SMILES CCOc1cc(Cl)c(cc1-n1cccn1)C(=O)NC(=O)Nc1nc2ccc(CN3CCN(C)CC3)cc2s1 Show InChI InChI=1S/C26H28ClN7O3S/c1-3-37-22-15-19(27)18(14-21(22)34-8-4-7-28-34)24(35)30-25(36)31-26-29-20-6-5-17(13-23(20)38-26)16-33-11-9-32(2)10-12-33/h4-8,13-15H,3,9-12,16H2,1-2H3,(H2,29,30,31,35,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR81 overexpressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 1 (Homo sapiens (Human))	BDBM50539672 (CHEMBL4640189) Show SMILES CCOc1cc(Cl)c(cc1-n1cccc1)C(=O)NC(=O)Nc1nc2ccc(CN3CCN(C)CC3)cc2s1 Show InChI InChI=1S/C27H29ClN6O3S/c1-3-37-23-16-20(28)19(15-22(23)34-8-4-5-9-34)25(35)30-26(36)31-27-29-21-7-6-18(14-24(21)38-27)17-33-12-10-32(2)11-13-33/h4-9,14-16H,3,10-13,17H2,1-2H3,(H2,29,30,31,35,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR81 overexpressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair

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