Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'greasley' and Initial = 'pj'   

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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor assessed as stimulation of [35S]GTPgammaS binding				Bioorg Med Chem Lett 20: 479-82 (2010) Article DOI: 10.1016/j.bmcl.2009.11.125 BindingDB Entry DOI: 10.7270/Q2X34XKB
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50305984 (5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)...) Show SMILES COCc1nc(-c2ccc(Cl)cc2)c(nc1C(=S)NC1CCC(F)(F)CC1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H23Cl2F2N3OS/c1-33-14-20-23(24(34)30-19-10-12-25(28,29)13-11-19)32-22(16-4-8-18(27)9-5-16)21(31-20)15-2-6-17(26)7-3-15/h2-9,19H,10-14H2,1H3,(H,30,34)	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	2.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor assessed as stimulation of [35S]GTPgammaS binding				Bioorg Med Chem Lett 20: 479-82 (2010) Article DOI: 10.1016/j.bmcl.2009.11.125 BindingDB Entry DOI: 10.7270/Q2X34XKB
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50305985 (5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)...) Show SMILES COCc1nc(-c2ccc(Cl)cc2)c(nc1C(=O)NC1CCC(F)(F)CC1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H23Cl2F2N3O2/c1-34-14-20-23(24(33)30-19-10-12-25(28,29)13-11-19)32-22(16-4-8-18(27)9-5-16)21(31-20)15-2-6-17(26)7-3-15/h2-9,19H,10-14H2,1H3,(H,30,33)	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	2.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor assessed as stimulation of [35S]GTPgammaS binding				Bioorg Med Chem Lett 20: 479-82 (2010) Article DOI: 10.1016/j.bmcl.2009.11.125 BindingDB Entry DOI: 10.7270/Q2X34XKB
					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))	BDBM50305987 (5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)...) Show SMILES FC1(F)CCC(CC1)NC(=S)c1cnc(-c2ccc(Cl)cc2)c(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H19Cl2F2N3S/c24-16-5-1-14(2-6-16)20-21(15-3-7-17(25)8-4-15)30-19(13-28-20)22(31)29-18-9-11-23(26,27)12-10-18/h1-8,13,18H,9-12H2,(H,29,31)	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	4.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor assessed as stimulation of [35S]GTPgammaS binding				Bioorg Med Chem Lett 20: 479-82 (2010) Article DOI: 10.1016/j.bmcl.2009.11.125 BindingDB Entry DOI: 10.7270/Q2X34XKB
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50305988 (5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)...) Show SMILES FC1(F)CCC(CC1)NC(=O)c1cnc(-c2ccc(Cl)cc2)c(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H19Cl2F2N3O/c24-16-5-1-14(2-6-16)20-21(15-3-7-17(25)8-4-15)30-19(13-28-20)22(31)29-18-9-11-23(26,27)12-10-18/h1-8,13,18H,9-12H2,(H,29,31)	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	5.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor assessed as stimulation of [35S]GTPgammaS binding				Bioorg Med Chem Lett 20: 479-82 (2010) Article DOI: 10.1016/j.bmcl.2009.11.125 BindingDB Entry DOI: 10.7270/Q2X34XKB
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50305986 (5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-car...) Show SMILES Clc1ccc(cc1)-c1ncc(nc1-c1ccc(Cl)cc1)C(=S)NC1CCCCC1 Show InChI InChI=1S/C23H21Cl2N3S/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	5.80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor assessed as stimulation of [35S]GTPgammaS binding				Bioorg Med Chem Lett 20: 479-82 (2010) Article DOI: 10.1016/j.bmcl.2009.11.125 BindingDB Entry DOI: 10.7270/Q2X34XKB
					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
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	16.6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor assessed as stimulation of [35S]GTPgammaS binding				Bioorg Med Chem Lett 20: 479-82 (2010) Article DOI: 10.1016/j.bmcl.2009.11.125 BindingDB Entry DOI: 10.7270/Q2X34XKB
					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
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
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
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