Compile Data Set for Download or QSAR

Found 6 hits of ic50 for UniProtKB: P25099   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A1/A2a/A2b/A3 (Rattus norvegicus (rat))	BDBM50009552 (2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 |r| Show InChI InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CHA from rat brain adenosine receptor				J Med Chem 26: 1601-6 (1983) BindingDB Entry DOI: 10.7270/Q2QR50B3
					More data for this Ligand-Target Pair
Adenosine receptor A1/A2a/A2b/A3 (Rattus norvegicus (rat))	BDBM50224560 (CHEMBL605654) Show SMILES CCCNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H19N5O4/c1-2-3-14-11-8-12(16-5-15-11)18(6-17-8)13-10(21)9(20)7(4-19)22-13/h5-7,9-10,13,19-21H,2-4H2,1H3,(H,14,15,16)/t7-,9-,10-,13?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CHA from rat brain adenosine receptor				J Med Chem 26: 1601-6 (1983) BindingDB Entry DOI: 10.7270/Q2QR50B3
					More data for this Ligand-Target Pair
Adenosine receptor A1/A2a/A2b/A3 (Rattus norvegicus (rat))	BDBM50118810 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...) Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	95.7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CHA from rat brain adenosine receptor				J Med Chem 26: 1601-6 (1983) BindingDB Entry DOI: 10.7270/Q2QR50B3
					More data for this Ligand-Target Pair
Adenosine receptor A1/A2a/A2b/A3 (Rattus norvegicus (rat))	BDBM50118810 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...) Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CHA from rat brain adenosine receptor				J Med Chem 26: 1601-6 (1983) BindingDB Entry DOI: 10.7270/Q2QR50B3
					More data for this Ligand-Target Pair
Adenosine receptor A1/A2a/A2b/A3 (Rattus norvegicus (rat))	BDBM50224562 (CHEMBL605067) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1ncc2c(NC3CCCCC3)ncnc12 |r| Show InChI InChI=1S/C16H23N5O4/c22-7-11-12(23)13(24)16(25-11)21-15-10(6-19-21)14(17-8-18-15)20-9-4-2-1-3-5-9/h6,8-9,11-13,16,22-24H,1-5,7H2,(H,17,18,20)/t11-,12-,13-,16?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CHA from rat brain adenosine receptor				J Med Chem 26: 1601-6 (1983) BindingDB Entry DOI: 10.7270/Q2QR50B3
					More data for this Ligand-Target Pair
Adenosine receptor A1/A2a/A2b/A3 (Rattus norvegicus (rat))	BDBM50224561 (CHEMBL605655) Show SMILES CCCNc1ncnc2n(ncc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H19N5O4/c1-2-3-14-11-7-4-17-18(12(7)16-6-15-11)13-10(21)9(20)8(5-19)22-13/h4,6,8-10,13,19-21H,2-3,5H2,1H3,(H,14,15,16)/t8-,9-,10-,13?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CHA from rat brain adenosine receptor				J Med Chem 26: 1601-6 (1983) BindingDB Entry DOI: 10.7270/Q2QR50B3
					More data for this Ligand-Target Pair