Compile Data Set for Download or QSAR

Found 737 hits with Last Name = 'wells' and Initial = 'km'   

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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50394718 (CHEMBL2165801) Show SMILES Nc1nc2-c3cc(Cc4cnccc4Cl)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15ClN4O/c24-18-8-9-26-12-15(18)10-13-6-7-16-17(11-13)21-19(22(16)29)20(27-23(25)28-21)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H2,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50394722 (CHEMBL2165807) Show SMILES Nc1nc2-c3cc(Cc4cccnc4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H16N4O/c24-23-26-20(16-6-2-1-3-7-16)19-21(27-23)18-12-14(8-9-17(18)22(19)28)11-15-5-4-10-25-13-15/h1-10,12-13H,11H2,(H2,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50394717 (CHEMBL2165802) Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)c1cccnc1 Show InChI InChI=1S/C23H14N4O2/c24-23-26-19(13-5-2-1-3-6-13)18-20(27-23)17-11-14(8-9-16(17)22(18)29)21(28)15-7-4-10-25-12-15/h1-12H,(H2,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50394718 (CHEMBL2165801) Show SMILES Nc1nc2-c3cc(Cc4cnccc4Cl)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15ClN4O/c24-18-8-9-26-12-15(18)10-13-6-7-16-17(11-13)21-19(22(16)29)20(27-23(25)28-21)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H2,25,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50394719 (CHEMBL2165800) Show SMILES Nc1nc2-c3cc(Cc4ccncc4F)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15FN4O/c24-18-12-26-9-8-15(18)10-13-6-7-16-17(11-13)21-19(22(16)29)20(27-23(25)28-21)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H2,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50394720 (CHEMBL2165799) Show SMILES Nc1nc2-c3cc(Cc4cncc(F)c4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15FN4O/c24-16-9-14(11-26-12-16)8-13-6-7-17-18(10-13)21-19(22(17)29)20(27-23(25)28-21)15-4-2-1-3-5-15/h1-7,9-12H,8H2,(H2,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50394721 (CHEMBL2165808) Show SMILES Nc1nc2-c3cc(Cc4cncc(c4)C#N)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C24H15N5O/c25-11-16-9-15(12-27-13-16)8-14-6-7-18-19(10-14)22-20(23(18)30)21(28-24(26)29-22)17-4-2-1-3-5-17/h1-7,9-10,12-13H,8H2,(H2,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50394716 (CHEMBL2165803) Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(F)(F)c1cccnc1 Show InChI InChI=1S/C23H14F2N4O/c24-23(25,15-7-4-10-27-12-15)14-8-9-16-17(11-14)20-18(21(16)30)19(28-22(26)29-20)13-5-2-1-3-6-13/h1-12H,(H2,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50394717 (CHEMBL2165802) Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)c1cccnc1 Show InChI InChI=1S/C23H14N4O2/c24-23-26-19(13-5-2-1-3-6-13)18-20(27-23)17-11-14(8-9-16(17)22(18)29)21(28)15-7-4-10-25-12-15/h1-12H,(H2,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50394715 (CHEMBL2165804) Show SMILES CC(C)n1cc(ccc1=O)-c1ncc(N)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN4O/c1-11(2)23-10-13(5-8-16(23)24)17-18(22-15(20)9-21-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3,(H2,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50394722 (CHEMBL2165807) Show SMILES Nc1nc2-c3cc(Cc4cccnc4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H16N4O/c24-23-26-20(16-6-2-1-3-7-16)19-21(27-23)18-12-14(8-9-17(18)22(19)28)11-15-5-4-10-25-13-15/h1-10,12-13H,11H2,(H2,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50394719 (CHEMBL2165800) Show SMILES Nc1nc2-c3cc(Cc4ccncc4F)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15FN4O/c24-18-12-26-9-8-15(18)10-13-6-7-16-17(11-13)21-19(22(16)29)20(27-23(25)28-21)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H2,25,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50394723 (CHEMBL2165806) Show SMILES Nc1nc2-c3cc(CN4C5CCC4CC5)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C24H22N4O/c25-24-26-21(15-4-2-1-3-5-15)20-22(27-24)19-12-14(6-11-18(19)23(20)29)13-28-16-7-8-17(28)10-9-16/h1-6,11-12,16-17H,7-10,13H2,(H2,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50330987 (2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)-5H-inde...) Show SMILES Nc1nc2-c3cc(CN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C22H20N4O/c23-22-24-19(15-6-2-1-3-7-15)18-20(25-22)17-12-14(8-9-16(17)21(18)27)13-26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13H2,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50330987 (2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)-5H-inde...) Show SMILES Nc1nc2-c3cc(CN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C22H20N4O/c23-22-24-19(15-6-2-1-3-7-15)18-20(25-22)17-12-14(8-9-16(17)21(18)27)13-26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13H2,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2A receptor				J Med Chem 53: 8104-15 (2010) Checked by Author Article DOI: 10.1021/jm100971t BindingDB Entry DOI: 10.7270/Q2VT1SCG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50394721 (CHEMBL2165808) Show SMILES Nc1nc2-c3cc(Cc4cncc(c4)C#N)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C24H15N5O/c25-11-16-9-15(12-27-13-16)8-14-6-7-18-19(10-14)22-20(23(18)30)21(28-24(26)29-22)17-4-2-1-3-5-17/h1-7,9-10,12-13H,8H2,(H2,26,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50394720 (CHEMBL2165799) Show SMILES Nc1nc2-c3cc(Cc4cncc(F)c4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15FN4O/c24-16-9-14(11-26-12-16)8-13-6-7-17-18(10-13)21-19(22(17)29)20(27-23(25)28-21)15-4-2-1-3-5-15/h1-7,9-12H,8H2,(H2,25,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50316887 (2-amino-8-(2-morpholinoethoxy)-4-phenyl-5H-indeno[...) Show SMILES Nc1nc2-c3cc(OCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H22N4O3/c24-23-25-20(15-4-2-1-3-5-15)19-21(26-23)18-14-16(6-7-17(18)22(19)28)30-13-10-27-8-11-29-12-9-27/h1-7,14H,8-13H2,(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50316876 (2-amino-8-(4-methylpiperazine-1-carbonyl)-4-phenyl...) Show SMILES CN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 Show InChI InChI=1S/C23H21N5O2/c1-27-9-11-28(12-10-27)22(30)15-7-8-16-17(13-15)20-18(21(16)29)19(25-23(24)26-20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50394715 (CHEMBL2165804) Show SMILES CC(C)n1cc(ccc1=O)-c1ncc(N)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN4O/c1-11(2)23-10-13(5-8-16(23)24)17-18(22-15(20)9-21-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3,(H2,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50394724 (CHEMBL2165805) Show SMILES CC1CC[C@@H](C)N1Cc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 |r| Show InChI InChI=1S/C24H24N4O/c1-14-8-9-15(2)28(14)13-16-10-11-18-19(12-16)22-20(23(18)29)21(26-24(25)27-22)17-6-4-3-5-7-17/h3-7,10-12,14-15H,8-9,13H2,1-2H3,(H2,25,26,27)/t14-,15?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330987 (2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)-5H-inde...) Show SMILES Nc1nc2-c3cc(CN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C22H20N4O/c23-22-24-19(15-6-2-1-3-7-15)18-20(25-22)17-12-14(8-9-16(17)21(18)27)13-26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13H2,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A1 receptor				J Med Chem 53: 8104-15 (2010) Checked by Author Article DOI: 10.1021/jm100971t BindingDB Entry DOI: 10.7270/Q2VT1SCG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330987 (2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)-5H-inde...) Show SMILES Nc1nc2-c3cc(CN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C22H20N4O/c23-22-24-19(15-6-2-1-3-7-15)18-20(25-22)17-12-14(8-9-16(17)21(18)27)13-26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13H2,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50394716 (CHEMBL2165803) Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(F)(F)c1cccnc1 Show InChI InChI=1S/C23H14F2N4O/c24-23(25,15-7-4-10-27-12-15)14-8-9-16-17(11-14)20-18(21(16)30)19(28-22(26)29-20)13-5-2-1-3-6-13/h1-12H,(H2,26,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50394724 (CHEMBL2165805) Show SMILES CC1CC[C@@H](C)N1Cc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 |r| Show InChI InChI=1S/C24H24N4O/c1-14-8-9-15(2)28(14)13-16-10-11-18-19(12-16)22-20(23(18)29)21(26-24(25)27-22)17-6-4-3-5-7-17/h3-7,10-12,14-15H,8-9,13H2,1-2H3,(H2,25,26,27)/t14-,15?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50316887 (2-amino-8-(2-morpholinoethoxy)-4-phenyl-5H-indeno[...) Show SMILES Nc1nc2-c3cc(OCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H22N4O3/c24-23-25-20(15-4-2-1-3-5-15)19-21(26-23)18-14-16(6-7-17(18)22(19)28)30-13-10-27-8-11-29-12-9-27/h1-7,14H,8-13H2,(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	48.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50316876 (2-amino-8-(4-methylpiperazine-1-carbonyl)-4-phenyl...) Show SMILES CN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 Show InChI InChI=1S/C23H21N5O2/c1-27-9-11-28(12-10-27)22(30)15-7-8-16-17(13-15)20-18(21(16)29)19(25-23(24)26-20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	58.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50394723 (CHEMBL2165806) Show SMILES Nc1nc2-c3cc(CN4C5CCC4CC5)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C24H22N4O/c25-24-26-21(15-4-2-1-3-5-15)20-22(27-24)19-12-14(6-11-18(19)23(20)29)13-28-16-7-8-17(28)10-9-16/h1-6,11-12,16-17H,7-10,13H2,(H2,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	223	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248583 (US9434711, 496) Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H18F3NO5S2/c1-15-20-4-2-3-5-21(20)34-22(15)28(14-16-6-10-18(11-7-16)33-24(25,26)27)35(31,32)19-12-8-17(9-13-19)23(29)30/h2-13H,14H2,1H3,(H,29,30)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.183	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica, N.V. US Patent					Assay Description For patch clamp experiments, HEK293 cells are stably transfected with canine TRPM8 and cultured in DMEM supplemented with 10% fetal bovine serum, 100...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50036555 (CHEMBL3353610 | US9434711, 497) Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(c(F)c1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H17F4NO4S2/c1-14-18-4-2-3-5-21(18)34-22(14)29(13-15-6-11-19(20(25)12-15)24(26,27)28)35(32,33)17-9-7-16(8-10-17)23(30)31/h2-12H,13H2,1H3,(H,30,31)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248583 (US9434711, 496) Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H18F3NO5S2/c1-15-20-4-2-3-5-21(20)34-22(15)28(14-16-6-10-18(11-7-16)33-24(25,26)27)35(31,32)19-12-8-17(9-13-19)23(29)30/h2-13H,14H2,1H3,(H,29,30)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.554	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica, N.V. US Patent					Assay Description For patch clamp experiments, HEK293 cells are stably transfected with canine TRPM8 and cultured in DMEM supplemented with 10% fetal bovine serum, 100...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248576 (US9434711, 489) Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H17ClFNO4S2/c1-14-18-4-2-3-5-21(18)31-22(14)26(13-15-6-11-20(25)19(24)12-15)32(29,30)17-9-7-16(8-10-17)23(27)28/h2-12H,13H2,1H3,(H,27,28)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248370 (US9434711, 227) Show SMILES CCS(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1C(C)(C)O Show InChI InChI=1S/C21H21F4NO3S2/c1-4-31(28,29)26(12-13-9-10-16(22)15(11-13)21(23,24)25)19-18(20(2,3)27)14-7-5-6-8-17(14)30-19/h5-11,27H,4,12H2,1-3H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248838 (US9434711, 808) Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(nc1)-c1noc(=O)[nH]1 Show InChI InChI=1S/C24H17F3N4O5S2/c1-14-18-4-2-3-5-20(18)37-22(14)31(13-15-6-8-16(9-7-15)35-24(25,26)27)38(33,34)17-10-11-19(28-12-17)21-29-23(32)36-30-21/h2-12H,13H2,1H3,(H,29,30,32)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248599 (US9434711, 518) Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H18F3NO4S2/c1-15-20-4-2-3-5-21(20)33-22(15)28(14-16-6-10-18(11-7-16)24(25,26)27)34(31,32)19-12-8-17(9-13-19)23(29)30/h2-13H,14H2,1H3,(H,29,30)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248480 (US9434711, 361) Show SMILES CC(C)(O)c1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C26H21F4NO5S2/c1-25(2,34)22-18-5-3-4-6-21(18)37-23(22)31(14-15-7-12-20(27)19(13-15)26(28,29)30)38(35,36)17-10-8-16(9-11-17)24(32)33/h3-13,34H,14H2,1-2H3,(H,32,33)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248426 (US9434711, 292) Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1Br Show InChI InChI=1S/C23H14BrF4NO4S2/c24-20-16-3-1-2-4-19(16)34-21(20)29(12-13-5-10-18(25)17(11-13)23(26,27)28)35(32,33)15-8-6-14(7-9-15)22(30)31/h1-11H,12H2,(H,30,31)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248580 (US9434711, 493) Show SMILES Cc1c(sc2ccccc12)N(Cc1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H14F5NO4S2/c1-11-14-4-2-3-5-16(14)34-22(11)29(10-15-17(24)19(26)21(28)20(27)18(15)25)35(32,33)13-8-6-12(7-9-13)23(30)31/h2-9H,10H2,1H3,(H,30,31)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50426573 (CHEMBL2324349 | US9434711, 306) Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H17F4NO4S2/c1-14-18-4-2-3-5-21(18)34-22(14)29(13-15-6-11-20(25)19(12-15)24(26,27)28)35(32,33)17-9-7-16(8-10-17)23(30)31/h2-12H,13H2,1H3,(H,30,31)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248583 (US9434711, 496) Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H18F3NO5S2/c1-15-20-4-2-3-5-21(20)34-22(15)28(14-16-6-10-18(11-7-16)33-24(25,26)27)35(31,32)19-12-8-17(9-13-19)23(29)30/h2-13H,14H2,1H3,(H,29,30)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248581 (US9434711, 494) Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(cc1)S(=O)(=O)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H18F3NO6S3/c1-15-20-4-2-3-5-21(20)35-22(15)28(37(33,34)19-12-8-17(9-13-19)23(29)30)14-16-6-10-18(11-7-16)36(31,32)24(25,26)27/h2-13H,14H2,1H3,(H,29,30)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248789 (US9434711, 755) Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1sc2ccccc2c1C1CC1 Show InChI InChI=1S/C26H20F3NO5S2/c27-26(28,29)35-19-11-5-16(6-12-19)15-30(37(33,34)20-13-9-18(10-14-20)25(31)32)24-23(17-7-8-17)21-3-1-2-4-22(21)36-24/h1-6,9-14,17H,7-8,15H2,(H,31,32)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248389 (US9434711, 249) Show SMILES Brc1c(sc2ccccc12)N(CC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccccc1 |TLB:15:16:20:14.19.13,19:14:21:18.20.17,19:18:21:15.14.13,THB:15:14:20:21.16.17| Show InChI InChI=1S/C25H26BrNO2S2/c26-23-21-8-4-5-9-22(21)30-24(23)27(31(28,29)20-6-2-1-3-7-20)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-9,17-19H,10-16H2	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248367 (US9434711, 224) Show SMILES CC(O)c1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C19H17F4NO3S2/c1-11(25)17-13-5-3-4-6-16(13)28-18(17)24(29(2,26)27)10-12-7-8-15(20)14(9-12)19(21,22)23/h3-9,11,25H,10H2,1-2H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248458 (US9434711, 335) Show SMILES CC(O)c1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C25H19F4NO5S2/c1-14(31)22-18-4-2-3-5-21(18)36-23(22)30(13-15-6-11-20(26)19(12-15)25(27,28)29)37(34,35)17-9-7-16(8-10-17)24(32)33/h2-12,14,31H,13H2,1H3,(H,32,33)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248840 (US9434711, 810) Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)-c1nsc(=O)[nH]1 Show InChI InChI=1S/C25H18F3N3O4S3/c1-15-20-4-2-3-5-21(20)36-23(15)31(14-16-6-10-18(11-7-16)35-25(26,27)28)38(33,34)19-12-8-17(9-13-19)22-29-24(32)37-30-22/h2-13H,14H2,1H3,(H,29,30,32)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248414 (US9434711, 278) Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)N(CC12CC3CC(CC(C3)C1)C2)c1sc2ccccc2c1Br |TLB:17:18:22:16.21.15,21:16:23:20.22.19,21:20:23:17.16.15,THB:17:16:22:23.18.19| Show InChI InChI=1S/C26H26BrNO4S2/c27-23-21-3-1-2-4-22(21)33-24(23)28(34(31,32)20-7-5-19(6-8-20)25(29)30)15-26-12-16-9-17(13-26)11-18(10-16)14-26/h1-8,16-18H,9-15H2,(H,29,30)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248578 (US9434711, 491) Show SMILES Cc1c(sc2ccccc12)N(Cc1cccc(c1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H18F3NO4S2/c1-15-20-7-2-3-8-21(20)33-22(15)28(14-16-5-4-6-18(13-16)24(25,26)27)34(31,32)19-11-9-17(10-12-19)23(29)30/h2-13H,14H2,1H3,(H,29,30)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248613 (US9434711, 535) Show SMILES CCS(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1[C@@H](C)O Show InChI InChI=1S/C20H19F4NO3S2/c1-3-30(27,28)25(11-13-8-9-16(21)15(10-13)20(22,23)24)19-18(12(2)26)14-6-4-5-7-17(14)29-19/h4-10,12,26H,3,11H2,1-2H3/t12-/m1/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248607 (US9434711, 526) Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(SC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H18F3NO4S3/c1-15-20-4-2-3-5-21(20)33-22(15)28(14-16-6-10-18(11-7-16)34-24(25,26)27)35(31,32)19-12-8-17(9-13-19)23(29)30/h2-13H,14H2,1H3,(H,29,30)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair

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