Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'nissen' and Initial = 'p'   

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 A1 (BOVINE)	BDBM50008387 (CHEMBL19768 | Cyclopentyl-(2-phenyl-1H-imidazo[4,5...) Show SMILES C1CCC(C1)Nc1nc2ccccc2c2nc([nH]c12)-c1ccccc1 Show InChI InChI=1S/C21H20N4/c1-2-8-14(9-3-1)20-24-18-16-12-6-7-13-17(16)23-21(19(18)25-20)22-15-10-4-5-11-15/h1-3,6-9,12-13,15H,4-5,10-11H2,(H,22,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM82015 (1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50011600 (CHEMBL19095 | Cyclopentyl-(2-cyclopentyl-1H-imidaz...) Show SMILES C1CCC(C1)Nc1nc2ccccc2c2nc([nH]c12)C1CCCC1 Show InChI InChI=1S/C20H24N4/c1-2-8-13(7-1)19-23-17-15-11-5-6-12-16(15)22-20(18(17)24-19)21-14-9-3-4-10-14/h5-6,11-14H,1-4,7-10H2,(H,21,22)(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50011599 (CHEMBL19305 | Cyclopentyl-(1H-imidazo[4,5-c]quinol...) Show SMILES C1CCC(C1)Nc1nc2ccccc2c2nc[nH]c12 Show InChI InChI=1S/C15H16N4/c1-2-6-10(5-1)18-15-14-13(16-9-17-14)11-7-3-4-8-12(11)19-15/h3-4,7-10H,1-2,5-6H2,(H,16,17)(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50008387 (CHEMBL19768 | Cyclopentyl-(2-phenyl-1H-imidazo[4,5...) Show SMILES C1CCC(C1)Nc1nc2ccccc2c2nc([nH]c12)-c1ccccc1 Show InChI InChI=1S/C21H20N4/c1-2-8-14(9-3-1)20-24-18-16-12-6-7-13-17(16)23-21(19(18)25-20)22-15-10-4-5-11-15/h1-3,6-9,12-13,15H,4-5,10-11H2,(H,22,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50011597 (2-Phenyl-1H-imidazo[4,5-c]quinolin-4-ylamine | CHE...) Show SMILES Nc1nc2ccccc2c2nc([nH]c12)-c1ccccc1 Show InChI InChI=1S/C16H12N4/c17-15-14-13(11-8-4-5-9-12(11)18-15)19-16(20-14)10-6-2-1-3-7-10/h1-9H,(H2,17,18)(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50011596 ((2-Cyclopentyl-1H-imidazo[4,5-c]quinolin-4-yl)-phe...) Show SMILES C1CCC(C1)c1nc2c([nH]1)c(Nc1ccccc1)nc1ccccc21 Show InChI InChI=1S/C21H20N4/c1-2-10-15(11-3-1)22-21-19-18(16-12-6-7-13-17(16)23-21)24-20(25-19)14-8-4-5-9-14/h1-3,6-7,10-14H,4-5,8-9H2,(H,22,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50011597 (2-Phenyl-1H-imidazo[4,5-c]quinolin-4-ylamine | CHE...) Show SMILES Nc1nc2ccccc2c2nc([nH]c12)-c1ccccc1 Show InChI InChI=1S/C16H12N4/c17-15-14-13(11-8-4-5-9-12(11)18-15)19-16(20-14)10-6-2-1-3-7-10/h1-9H,(H2,17,18)(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82015 (1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50011600 (CHEMBL19095 | Cyclopentyl-(2-cyclopentyl-1H-imidaz...) Show SMILES C1CCC(C1)Nc1nc2ccccc2c2nc([nH]c12)C1CCCC1 Show InChI InChI=1S/C20H24N4/c1-2-8-13(7-1)19-23-17-15-11-5-6-12-16(15)22-20(18(17)24-19)21-14-9-3-4-10-14/h5-6,11-14H,1-4,7-10H2,(H,21,22)(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50011599 (CHEMBL19305 | Cyclopentyl-(1H-imidazo[4,5-c]quinol...) Show SMILES C1CCC(C1)Nc1nc2ccccc2c2nc[nH]c12 Show InChI InChI=1S/C15H16N4/c1-2-6-10(5-1)18-15-14-13(16-9-17-14)11-7-3-4-8-12(11)19-15/h3-4,7-10H,1-2,5-6H2,(H,16,17)(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50011594 (CHEMBL441954 | Phenyl-(2-phenyl-1H-imidazo[4,5-c]q...) Show SMILES N(c1ccccc1)c1nc2ccccc2c2nc([nH]c12)-c1ccccc1 Show InChI InChI=1S/C22H16N4/c1-3-9-15(10-4-1)21-25-19-17-13-7-8-14-18(17)24-22(20(19)26-21)23-16-11-5-2-6-12-16/h1-14H,(H,23,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50368236 (CHEMBL1907708) Show SMILES C[C@H](Cc1ccccc1)Nc1nc2ccccc2c2nc[nH]c12 |r| Show InChI InChI=1S/C19H18N4/c1-13(11-14-7-3-2-4-8-14)22-19-18-17(20-12-21-18)15-9-5-6-10-16(15)23-19/h2-10,12-13H,11H2,1H3,(H,20,21)(H,22,23)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50011596 ((2-Cyclopentyl-1H-imidazo[4,5-c]quinolin-4-yl)-phe...) Show SMILES C1CCC(C1)c1nc2c([nH]1)c(Nc1ccccc1)nc1ccccc21 Show InChI InChI=1S/C21H20N4/c1-2-10-15(11-3-1)22-21-19-18(16-12-6-7-13-17(16)23-21)24-20(25-19)14-8-4-5-9-14/h1-3,6-7,10-14H,4-5,8-9H2,(H,22,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50011595 (2-Cyclopentyl-1H-imidazo[4,5-c]quinolin-4-ylamine ...) Show SMILES Nc1nc2ccccc2c2nc([nH]c12)C1CCCC1 Show InChI InChI=1S/C15H16N4/c16-14-13-12(10-7-3-4-8-11(10)17-14)18-15(19-13)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H2,16,17)(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50011599 (CHEMBL19305 | Cyclopentyl-(1H-imidazo[4,5-c]quinol...) Show SMILES C1CCC(C1)Nc1nc2ccccc2c2nc[nH]c12 Show InChI InChI=1S/C15H16N4/c1-2-6-10(5-1)18-15-14-13(16-9-17-14)11-7-3-4-8-12(11)19-15/h3-4,7-10H,1-2,5-6H2,(H,16,17)(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity for adenosine A2 receptor using [3H]NECA in rat striatal membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50011595 (2-Cyclopentyl-1H-imidazo[4,5-c]quinolin-4-ylamine ...) Show SMILES Nc1nc2ccccc2c2nc([nH]c12)C1CCCC1 Show InChI InChI=1S/C15H16N4/c16-14-13-12(10-7-3-4-8-11(10)17-14)18-15(19-13)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H2,16,17)(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50011597 (2-Phenyl-1H-imidazo[4,5-c]quinolin-4-ylamine | CHE...) Show SMILES Nc1nc2ccccc2c2nc([nH]c12)-c1ccccc1 Show InChI InChI=1S/C16H12N4/c17-15-14-13(11-8-4-5-9-12(11)18-15)19-16(20-14)10-6-2-1-3-7-10/h1-9H,(H2,17,18)(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity for adenosine A2 receptor using [3H]NECA in rat striatal membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368236 (CHEMBL1907708) Show SMILES C[C@H](Cc1ccccc1)Nc1nc2ccccc2c2nc[nH]c12 |r| Show InChI InChI=1S/C19H18N4/c1-13(11-14-7-3-2-4-8-14)22-19-18-17(20-12-21-18)15-9-5-6-10-16(15)23-19/h2-10,12-13H,11H2,1H3,(H,20,21)(H,22,23)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50008387 (CHEMBL19768 | Cyclopentyl-(2-phenyl-1H-imidazo[4,5...) Show SMILES C1CCC(C1)Nc1nc2ccccc2c2nc([nH]c12)-c1ccccc1 Show InChI InChI=1S/C21H20N4/c1-2-8-14(9-3-1)20-24-18-16-12-6-7-13-17(16)23-21(19(18)25-20)22-15-10-4-5-11-15/h1-3,6-9,12-13,15H,4-5,10-11H2,(H,22,23)(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity for adenosine A2 receptor using [3H]NECA in rat striatal membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50011600 (CHEMBL19095 | Cyclopentyl-(2-cyclopentyl-1H-imidaz...) Show SMILES C1CCC(C1)Nc1nc2ccccc2c2nc([nH]c12)C1CCCC1 Show InChI InChI=1S/C20H24N4/c1-2-8-13(7-1)19-23-17-15-11-5-6-12-16(15)22-20(18(17)24-19)21-14-9-3-4-10-14/h5-6,11-14H,1-4,7-10H2,(H,21,22)(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity for adenosine A2 receptor using [3H]NECA in rat striatal membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50011594 (CHEMBL441954 | Phenyl-(2-phenyl-1H-imidazo[4,5-c]q...) Show SMILES N(c1ccccc1)c1nc2ccccc2c2nc([nH]c12)-c1ccccc1 Show InChI InChI=1S/C22H16N4/c1-3-9-15(10-4-1)21-25-19-17-13-7-8-14-18(17)24-22(20(19)26-21)23-16-11-5-2-6-12-16/h1-14H,(H,23,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50368237 (CHEMBL1907924) Show SMILES C[C@@H](Cc1ccccc1)Nc1nc2ccccc2c2nc[nH]c12 |r| Show InChI InChI=1S/C19H18N4/c1-13(11-14-7-3-2-4-8-14)22-19-18-17(20-12-21-18)15-9-5-6-10-16(15)23-19/h2-10,12-13H,11H2,1H3,(H,20,21)(H,22,23)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50011598 ((1H-Imidazo[4,5-c]quinolin-4-yl)-phenyl-amine;HCl ...) Show SMILES N(c1ccccc1)c1nc2ccccc2c2nc[nH]c12 Show InChI InChI=1S/C16H12N4/c1-2-6-11(7-3-1)19-16-15-14(17-10-18-15)12-8-4-5-9-13(12)20-16/h1-10H,(H,17,18)(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50011595 (2-Cyclopentyl-1H-imidazo[4,5-c]quinolin-4-ylamine ...) Show SMILES Nc1nc2ccccc2c2nc([nH]c12)C1CCCC1 Show InChI InChI=1S/C15H16N4/c16-14-13-12(10-7-3-4-8-11(10)17-14)18-15(19-13)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H2,16,17)(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity for adenosine A2 receptor using [3H]NECA in rat striatal membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50368236 (CHEMBL1907708) Show SMILES C[C@H](Cc1ccccc1)Nc1nc2ccccc2c2nc[nH]c12 |r| Show InChI InChI=1S/C19H18N4/c1-13(11-14-7-3-2-4-8-14)22-19-18-17(20-12-21-18)15-9-5-6-10-16(15)23-19/h2-10,12-13H,11H2,1H3,(H,20,21)(H,22,23)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity for adenosine A2 receptor using [3H]NECA in rat striatal membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM82015 (1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity for adenosine A2 receptor using [3H]NECA in rat striatal membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50011593 (1H-Imidazo[4,5-c]quinolin-4-ylamine | 1H-Imidazo[4...) Show SMILES Nc1nc2ccccc2c2nc[nH]c12 Show InChI InChI=1S/C10H8N4/c11-10-9-8(12-5-13-9)6-3-1-2-4-7(6)14-10/h1-5H,(H2,11,14)(H,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity for adenosine A2 receptor using [3H]NECA in rat striatal membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368237 (CHEMBL1907924) Show SMILES C[C@@H](Cc1ccccc1)Nc1nc2ccccc2c2nc[nH]c12 |r| Show InChI InChI=1S/C19H18N4/c1-13(11-14-7-3-2-4-8-14)22-19-18-17(20-12-21-18)15-9-5-6-10-16(15)23-19/h2-10,12-13H,11H2,1H3,(H,20,21)(H,22,23)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50011593 (1H-Imidazo[4,5-c]quinolin-4-ylamine | 1H-Imidazo[4...) Show SMILES Nc1nc2ccccc2c2nc[nH]c12 Show InChI InChI=1S/C10H8N4/c11-10-9-8(12-5-13-9)6-3-1-2-4-7(6)14-10/h1-5H,(H2,11,14)(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50011593 (1H-Imidazo[4,5-c]quinolin-4-ylamine | 1H-Imidazo[4...) Show SMILES Nc1nc2ccccc2c2nc[nH]c12 Show InChI InChI=1S/C10H8N4/c11-10-9-8(12-5-13-9)6-3-1-2-4-7(6)14-10/h1-5H,(H2,11,14)(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50011598 ((1H-Imidazo[4,5-c]quinolin-4-yl)-phenyl-amine;HCl ...) Show SMILES N(c1ccccc1)c1nc2ccccc2c2nc[nH]c12 Show InChI InChI=1S/C16H12N4/c1-2-6-11(7-3-1)19-16-15-14(17-10-18-15)12-8-4-5-9-13(12)20-16/h1-10H,(H,17,18)(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50368237 (CHEMBL1907924) Show SMILES C[C@@H](Cc1ccccc1)Nc1nc2ccccc2c2nc[nH]c12 |r| Show InChI InChI=1S/C19H18N4/c1-13(11-14-7-3-2-4-8-14)22-19-18-17(20-12-21-18)15-9-5-6-10-16(15)23-19/h2-10,12-13H,11H2,1H3,(H,20,21)(H,22,23)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity for adenosine A2 receptor using [3H]NECA in rat striatal membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM10847 (1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...) Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM10847 (1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...) Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50011598 ((1H-Imidazo[4,5-c]quinolin-4-yl)-phenyl-amine;HCl ...) Show SMILES N(c1ccccc1)c1nc2ccccc2c2nc[nH]c12 Show InChI InChI=1S/C16H12N4/c1-2-6-11(7-3-1)19-16-15-14(17-10-18-15)12-8-4-5-9-13(12)20-16/h1-10H,(H,17,18)(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity for adenosine A2 receptor using [3H]NECA in rat striatal membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM10847 (1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...) Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity for adenosine A2 receptor using [3H]NECA in rat striatal membrane				J Med Chem 34: 1202-6 (1991) BindingDB Entry DOI: 10.7270/Q2W37WX7
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 (Rattus norvegicus)	BDBM50409816 (ABAMECTIN) Show SMILES CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |c:17,48,56,t:46| Show InChI InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Albert Ludwigs University Freiburg Curated by ChEMBL					Assay Description Inhibition of Wistar rat heart SERCA2a after 1 hr				J Nat Prod 78: 1262-70 (2015) Article DOI: 10.1021/acs.jnatprod.5b00062 BindingDB Entry DOI: 10.7270/Q2833TR2
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-1 (RAT)	BDBM50409816 (ABAMECTIN) Show SMILES CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |c:17,48,56,t:46| Show InChI InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Albert Ludwigs University Freiburg Curated by ChEMBL					Assay Description Inhibition of Wistar rat kidney Na+,K+-ATPase alpha1 after 2 hrs				J Nat Prod 78: 1262-70 (2015) Article DOI: 10.1021/acs.jnatprod.5b00062 BindingDB Entry DOI: 10.7270/Q2833TR2
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Rattus norvegicus)	BDBM50409816 (ABAMECTIN) Show SMILES CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |c:17,48,56,t:46| Show InChI InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Albert Ludwigs University Freiburg Curated by ChEMBL					Assay Description Inhibition of Wistar rat EDL muscle SERCA1a after 1 hr				J Nat Prod 78: 1262-70 (2015) Article DOI: 10.1021/acs.jnatprod.5b00062 BindingDB Entry DOI: 10.7270/Q2833TR2
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50431175 (CHEMBL2332100) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(OC(=O)CCC)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |r,t:20| Show InChI InChI=1S/C38H56O13/c1-10-14-15-16-17-20-27(41)47-32-30-29(23(6)31(32)48-34(43)22(5)13-4)33-38(51-28(42)19-12-3,37(9,45)35(44)49-33)25(46-26(40)18-11-2)21-36(30,8)50-24(7)39/h13,25,30-33,45H,10-12,14-21H2,1-9H3/b22-13-/t25-,30+,31-,32-,33-,36-,37+,38+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to SERCA1a in sarcoplasmic reticulum vesicles of rabbit skeletal muscle after 2.5 to 6 mins by spectrophotometric analysis				J Med Chem 56: 3609-19 (2013) Article DOI: 10.1021/jm4001083 BindingDB Entry DOI: 10.7270/Q20V8F4F
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50326742 ((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-3,3a,4-trih...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@@H](O)C[C@](C)(OC(C)=O)[C@@H]12 |r,t:20| Show InChI InChI=1S/C30H44O11/c1-8-10-11-12-13-14-20(33)38-24-22-21(17(4)23(24)39-26(34)16(3)9-2)25-30(37,29(7,36)27(35)40-25)19(32)15-28(22,6)41-18(5)31/h9,19,22-25,32,36-37H,8,10-15H2,1-7H3/b16-9-/t19-,22+,23-,24-,25-,28-,29+,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to SERCA1a in sarcoplasmic reticulum vesicles of rabbit skeletal muscle after 2.5 to 6 mins by spectrophotometric analysis				J Med Chem 56: 3609-19 (2013) Article DOI: 10.1021/jm4001083 BindingDB Entry DOI: 10.7270/Q20V8F4F
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50035612 (CHEMBL96926 | OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |r,t:20| Show InChI InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to SERCA1a in sarcoplasmic reticulum vesicles of rabbit skeletal muscle after 2.5 to 6 mins by spectrophotometric analysis				J Med Chem 56: 3609-19 (2013) Article DOI: 10.1021/jm4001083 BindingDB Entry DOI: 10.7270/Q20V8F4F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50035612 (CHEMBL96926 | OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |r,t:20| Show InChI InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a
Albert Ludwigs University Freiburg Curated by ChEMBL					Assay Description Binding affinity to rabbit skeletal muscle SERCA1a preincubated for 5 mins followed by Mg-ATP addition measured over 6 mins by spectrophotometric ana...				J Nat Prod 78: 1262-70 (2015) Article DOI: 10.1021/acs.jnatprod.5b00062 BindingDB Entry DOI: 10.7270/Q2833TR2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50097525 (CHEMBL3586099) Show SMILES [H][C@@]12C[C@@H](OC)C=C3[C@@H](O)O[C@@H](O)[C@@]13[C@@H](O)[C@H](O)[C@@H](C)[C@@]2(C)C\C=C(/C)C=C |r,t:6| Show InChI InChI=1S/C21H32O6/c1-6-11(2)7-8-20(4)12(3)16(22)17(23)21-14(18(24)27-19(21)25)9-13(26-5)10-15(20)21/h6-7,9,12-13,15-19,22-25H,1,8,10H2,2-5H3/b11-7+/t12-,13+,15+,16-,17+,18+,19-,20-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
Albert Ludwigs University Freiburg Curated by ChEMBL					Assay Description Binding affinity to rabbit skeletal muscle SERCA1a preincubated for 5 mins followed by Mg-ATP addition measured over 6 mins by spectrophotometric ana...				J Nat Prod 78: 1262-70 (2015) Article DOI: 10.1021/acs.jnatprod.5b00062 BindingDB Entry DOI: 10.7270/Q2833TR2
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50097535 (CHEMBL3125414) Show SMILES [H][C@@]12C[C@@H](O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]13[C@H](C[C@@H](C)[C@@]2(C)C[C@@H](O)C(=C)C=C)OC(=O)CC(O)CCCCCCCCC |r,t:5| Show InChI InChI=1S/C36H56O10/c1-8-10-11-12-13-14-15-16-26(39)20-32(42)45-31-17-23(4)35(7,21-29(41)22(3)9-2)30-19-27(40)18-28-33(43-24(5)37)46-34(36(28,30)31)44-25(6)38/h9,18,23,26-27,29-31,33-34,39-41H,2-3,8,10-17,19-21H2,1,4-7H3/t23-,26?,27+,29-,30+,31+,33+,34-,35-,36-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.15E+4	n/a	n/a	n/a	n/a	n/a
Albert Ludwigs University Freiburg Curated by ChEMBL					Assay Description Binding affinity to rabbit skeletal muscle SERCA1a preincubated for 5 mins followed by Mg-ATP addition measured over 6 mins by spectrophotometric ana...				J Nat Prod 78: 1262-70 (2015) Article DOI: 10.1021/acs.jnatprod.5b00062 BindingDB Entry DOI: 10.7270/Q2833TR2
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50097547 (CHEMBL3125413) Show SMILES [H][C@@]12C[C@@H](O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]13[C@H](C[C@@H](C)[C@@]2(C)CCC(=C)C=C)OC(=O)CC(O)CCCCCCCCC |r,t:5| Show InChI InChI=1S/C22H16F3N3O2/c1-27-19-17(20(29)28(21(27)30)13-14-7-3-2-4-8-14)11-15(12-26-19)16-9-5-6-10-18(16)22(23,24)25/h2-12H,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a
Albert Ludwigs University Freiburg Curated by ChEMBL					Assay Description Binding affinity to rabbit skeletal muscle SERCA1a preincubated for 5 mins followed by Mg-ATP addition measured over 6 mins by spectrophotometric ana...				J Nat Prod 78: 1262-70 (2015) Article DOI: 10.1021/acs.jnatprod.5b00062 BindingDB Entry DOI: 10.7270/Q2833TR2
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50097548 (CHEMBL3586098) Show SMILES [H][C@@]12CC(=O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]13CC[C@@H](C)[C@@]2(C)C\C=C(/C)C=C |r,t:5| Show InChI InChI=1S/C21H16FN3O2/c1-24-19-18(16(11-12-23-19)15-9-5-6-10-17(15)22)20(26)25(21(24)27)13-14-7-3-2-4-8-14/h2-12H,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.65E+4	n/a	n/a	n/a	n/a	n/a
Albert Ludwigs University Freiburg Curated by ChEMBL					Assay Description Binding affinity to rabbit skeletal muscle SERCA1a preincubated for 5 mins followed by Mg-ATP addition measured over 6 mins by spectrophotometric ana...				J Nat Prod 78: 1262-70 (2015) Article DOI: 10.1021/acs.jnatprod.5b00062 BindingDB Entry DOI: 10.7270/Q2833TR2
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50097549 (CHEMBL3586097) Show SMILES [H][C@@]12C[C@H](CC3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]13CC[C@@H](C)[C@@]2(C)CCC(=C)C=C)OC(C)=O |r| Show InChI InChI=1S/C23H21N3O3/c1-25-21-20(22(27)26(23(25)28)14-17-8-4-2-5-9-17)12-19(13-24-21)16-29-15-18-10-6-3-7-11-18/h2-13H,14-16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.03E+5	n/a	n/a	n/a	n/a	n/a
Albert Ludwigs University Freiburg Curated by ChEMBL					Assay Description Binding affinity to rabbit skeletal muscle SERCA1a preincubated for 5 mins followed by Mg-ATP addition measured over 6 mins by spectrophotometric ana...				J Nat Prod 78: 1262-70 (2015) Article DOI: 10.1021/acs.jnatprod.5b00062 BindingDB Entry DOI: 10.7270/Q2833TR2
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50097550 (CHEMBL3125412) Show SMILES [H][C@@]12C[C@H](OC(=O)\C=C\c3ccccc3)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]13[C@@H](O)C[C@@H](C)[C@@]2(C)CCC(=C)C=C |r,t:16| Show InChI InChI=1S/C21H16ClN3O2/c1-24-19-18(11-16(12-23-19)15-7-9-17(22)10-8-15)20(26)25(21(24)27)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.21E+4	n/a	n/a	n/a	n/a	n/a
Albert Ludwigs University Freiburg Curated by ChEMBL					Assay Description Binding affinity to rabbit skeletal muscle SERCA1a preincubated for 5 mins followed by Mg-ATP addition measured over 6 mins by spectrophotometric ana...				J Nat Prod 78: 1262-70 (2015) Article DOI: 10.1021/acs.jnatprod.5b00062 BindingDB Entry DOI: 10.7270/Q2833TR2
					More data for this Ligand-Target Pair

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