Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'poschenrieder' and Initial = 'h'   

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 kinase (Rattus norvegicus (rat))	BDBM50375654 (CHEMBL99203 | US11633415, Compound 5-iodotubercidi...) Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat brain cytosolic Adk using [2-3H]adenosine incubated for 15 mins by scintillation spectrometry				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50375654 (CHEMBL99203 | US11633415, Compound 5-iodotubercidi...) Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human Adk-short expressed in Escherichia coli BL21[DE3] assessed as [3H]AMP formation preincubated for 15 mins f...				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine kinase (Rattus norvegicus (rat))	BDBM50375654 (CHEMBL99203 | US11633415, Compound 5-iodotubercidi...) Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat brain ADK expressed in Escherichia coli				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50375654 (CHEMBL99203 | US11633415, Compound 5-iodotubercidi...) Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of recombinant human Adk using [U-14C]adenosine by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50533824 (CHEMBL4574016) Show SMILES CC(=O)Nc1nc(nc2oc(nc12)-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C19H13ClN4O2/c1-11(25)21-17-15-19(24-16(23-17)12-5-3-2-4-6-12)26-18(22-15)13-7-9-14(20)10-8-13/h2-10H,1H3,(H,21,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat cortex adenosine A1 receptor using [3H]CCPA measured after 90 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50533828 (CHEMBL4570031) Show SMILES Sc1nnc2c3c4CCCCc4sc3n3c(S)nnc3n12 Show InChI InChI=1S/C12H10N6S3/c19-11-15-13-8-7-5-3-1-2-4-6(5)21-9(7)18-10(17(8)11)14-16-12(18)20/h1-4H2,(H,15,19)(H,16,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	184	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human Adk-short expressed in Escherichia coli BL21[DE3] assessed as [3H]AMP formation preincubated for 15 mins f...				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50533830 (CHEMBL4460655) Show SMILES CCCc1nc2n(ncc2c2n[nH]c(=S)n12)-c1ccccc1 Show InChI InChI=1S/C15H14N6S/c1-2-6-12-17-13-11(14-18-19-15(22)20(12)14)9-16-21(13)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat cortex adenosine A1 receptor using [3H]CCPA measured after 90 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50533833 (CHEMBL4545415) Show SMILES Nc1nc(nc2oc(nc12)-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C17H11ClN4O/c18-12-8-6-11(7-9-12)16-20-13-14(19)21-15(22-17(13)23-16)10-4-2-1-3-5-10/h1-9H,(H2,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat cortex adenosine A1 receptor using [3H]CCPA measured after 90 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50533830 (CHEMBL4460655) Show SMILES CCCc1nc2n(ncc2c2n[nH]c(=S)n12)-c1ccccc1 Show InChI InChI=1S/C15H14N6S/c1-2-6-12-17-13-11(14-18-19-15(22)20(12)14)9-16-21(13)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat striatal adenosine A2A receptor using [3H]MXS-2 measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50533823 (CHEMBL494210) Show SMILES S=c1[nH]nc2c3c4CCCCc4sc3nc(-c3ccccc3)n12 Show InChI InChI=1S/C17H14N4S2/c22-17-20-19-15-13-11-8-4-5-9-12(11)23-16(13)18-14(21(15)17)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	5.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human Adk-short expressed in Escherichia coli BL21[DE3] assessed as [3H]AMP formation preincubated for 15 mins f...				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50533825 (CHEMBL4460819) Show SMILES CC1CCc2sc3nc(NCc4ccccc4)n4c(S)nnc4c3c2C1 Show InChI InChI=1S/C19H19N5S2/c1-11-7-8-14-13(9-11)15-16-22-23-19(25)24(16)18(21-17(15)26-14)20-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,20,21)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	5.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human Adk-short expressed in Escherichia coli BL21[DE3] assessed as [3H]AMP formation preincubated for 15 mins f...				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50533832 (CHEMBL4524434) Show SMILES Sc1nnc2c3c(nc(-c4ccccc4Cl)n12)sc1ccccc31 Show InChI InChI=1S/C17H9ClN4S2/c18-11-7-3-1-5-9(11)14-19-16-13(15-20-21-17(23)22(14)15)10-6-2-4-8-12(10)24-16/h1-8H,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human Adk-short expressed in Escherichia coli BL21[DE3] assessed as [3H]AMP formation preincubated for 15 mins f...				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50533830 (CHEMBL4460655) Show SMILES CCCc1nc2n(ncc2c2n[nH]c(=S)n12)-c1ccccc1 Show InChI InChI=1S/C15H14N6S/c1-2-6-12-17-13-11(14-18-19-15(22)20(12)14)9-16-21(13)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human Adk-short expressed in Escherichia coli BL21[DE3] assessed as [3H]AMP formation preincubated for 15 mins f...				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50533829 (CHEMBL4592393) Show SMILES NNc1nc2ccccc2c2nc(N)nn12 Show InChI InChI=1S/C9H9N7/c10-8-13-7-5-3-1-2-4-6(5)12-9(14-11)16(7)15-8/h1-4H,11H2,(H2,10,15)(H,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human Adk-short expressed in Escherichia coli BL21[DE3] assessed as [3H]AMP formation preincubated for 15 mins f...				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50533827 (CHEMBL4457103) Show SMILES O=C1NC(=O)c2c1nc(nc2-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C18H11N3O2/c22-17-13-14(11-7-3-1-4-8-11)19-16(12-9-5-2-6-10-12)20-15(13)18(23)21-17/h1-10H,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human Adk-short expressed in Escherichia coli BL21[DE3] assessed as [3H]AMP formation preincubated for 15 mins f...				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50533825 (CHEMBL4460819) Show SMILES CC1CCc2sc3nc(NCc4ccccc4)n4c(S)nnc4c3c2C1 Show InChI InChI=1S/C19H19N5S2/c1-11-7-8-14-13(9-11)15-16-22-23-19(25)24(16)18(21-17(15)26-14)20-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,20,21)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat striatal adenosine A2A receptor using [3H]MXS-2 measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50533828 (CHEMBL4570031) Show SMILES Sc1nnc2c3c4CCCCc4sc3n3c(S)nnc3n12 Show InChI InChI=1S/C12H10N6S3/c19-11-15-13-8-7-5-3-1-2-4-6(5)21-9(7)18-10(17(8)11)14-16-12(18)20/h1-4H2,(H,15,19)(H,16,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat cortex adenosine A1 receptor using [3H]CCPA measured after 90 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50533823 (CHEMBL494210) Show SMILES S=c1[nH]nc2c3c4CCCCc4sc3nc(-c3ccccc3)n12 Show InChI InChI=1S/C17H14N4S2/c22-17-20-19-15-13-11-8-4-5-9-12(11)23-16(13)18-14(21(15)17)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat cortex adenosine A1 receptor using [3H]CCPA measured after 90 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50533829 (CHEMBL4592393) Show SMILES NNc1nc2ccccc2c2nc(N)nn12 Show InChI InChI=1S/C9H9N7/c10-8-13-7-5-3-1-2-4-6(5)12-9(14-11)16(7)15-8/h1-4H,11H2,(H2,10,15)(H,12,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat cortex adenosine A1 receptor using [3H]CCPA measured after 90 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50533825 (CHEMBL4460819) Show SMILES CC1CCc2sc3nc(NCc4ccccc4)n4c(S)nnc4c3c2C1 Show InChI InChI=1S/C19H19N5S2/c1-11-7-8-14-13(9-11)15-16-22-23-19(25)24(16)18(21-17(15)26-14)20-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,20,21)(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat cortex adenosine A1 receptor using [3H]CCPA measured after 90 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50533823 (CHEMBL494210) Show SMILES S=c1[nH]nc2c3c4CCCCc4sc3nc(-c3ccccc3)n12 Show InChI InChI=1S/C17H14N4S2/c22-17-20-19-15-13-11-8-4-5-9-12(11)23-16(13)18-14(21(15)17)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat striatal adenosine A2A receptor using [3H]MXS-2 measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50533824 (CHEMBL4574016) Show SMILES CC(=O)Nc1nc(nc2oc(nc12)-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C19H13ClN4O2/c1-11(25)21-17-15-19(24-16(23-17)12-5-3-2-4-6-12)26-18(22-15)13-7-9-14(20)10-8-13/h2-10H,1H3,(H,21,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat striatal adenosine A2A receptor using [3H]MXS-2 measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50533832 (CHEMBL4524434) Show SMILES Sc1nnc2c3c(nc(-c4ccccc4Cl)n12)sc1ccccc31 Show InChI InChI=1S/C17H9ClN4S2/c18-11-7-3-1-5-9(11)14-19-16-13(15-20-21-17(23)22(14)15)10-6-2-4-8-12(10)24-16/h1-8H,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat striatal adenosine A2A receptor using [3H]MXS-2 measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50533831 (CHEMBL4445820) Show SMILES Nc1nc2c3ccccc3[nH]c(=S)n2n1 Show InChI InChI=1S/C9H7N5S/c10-8-12-7-5-3-1-2-4-6(5)11-9(15)14(7)13-8/h1-4H,(H2,10,13)(H,11,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat cortex adenosine A1 receptor using [3H]CCPA measured after 90 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50533829 (CHEMBL4592393) Show SMILES NNc1nc2ccccc2c2nc(N)nn12 Show InChI InChI=1S/C9H9N7/c10-8-13-7-5-3-1-2-4-6(5)12-9(14-11)16(7)15-8/h1-4H,11H2,(H2,10,15)(H,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat striatal adenosine A2A receptor using [3H]MXS-2 measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50533828 (CHEMBL4570031) Show SMILES Sc1nnc2c3c4CCCCc4sc3n3c(S)nnc3n12 Show InChI InChI=1S/C12H10N6S3/c19-11-15-13-8-7-5-3-1-2-4-6(5)21-9(7)18-10(17(8)11)14-16-12(18)20/h1-4H2,(H,15,19)(H,16,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat striatal adenosine A2A receptor using [3H]MXS-2 measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50533833 (CHEMBL4545415) Show SMILES Nc1nc(nc2oc(nc12)-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C17H11ClN4O/c18-12-8-6-11(7-9-12)16-20-13-14(19)21-15(22-17(13)23-16)10-4-2-1-3-5-10/h1-9H,(H2,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat striatal adenosine A2A receptor using [3H]MXS-2 measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50533831 (CHEMBL4445820) Show SMILES Nc1nc2c3ccccc3[nH]c(=S)n2n1 Show InChI InChI=1S/C9H7N5S/c10-8-12-7-5-3-1-2-4-6(5)11-9(15)14(7)13-8/h1-4H,(H2,10,13)(H,11,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat striatal adenosine A2A receptor using [3H]MXS-2 measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50533833 (CHEMBL4545415) Show SMILES Nc1nc(nc2oc(nc12)-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C17H11ClN4O/c18-12-8-6-11(7-9-12)16-20-13-14(19)21-15(22-17(13)23-16)10-4-2-1-3-5-10/h1-9H,(H2,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human Adk-short expressed in Escherichia coli BL21[DE3] assessed as [3H]AMP formation preincubated for 15 mins f...				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50533831 (CHEMBL4445820) Show SMILES Nc1nc2c3ccccc3[nH]c(=S)n2n1 Show InChI InChI=1S/C9H7N5S/c10-8-12-7-5-3-1-2-4-6(5)11-9(15)14(7)13-8/h1-4H,(H2,10,13)(H,11,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human Adk-short expressed in Escherichia coli BL21[DE3] assessed as [3H]AMP formation preincubated for 15 mins f...				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50533834 (CHEMBL4448716) Show SMILES CC(=O)Oc1csc2nc(C)n3c4ccccc4nc3c12 Show InChI InChI=1S/C15H11N3O2S/c1-8-16-15-13(12(7-21-15)20-9(2)19)14-17-10-5-3-4-6-11(10)18(8)14/h3-7H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human Adk-short expressed in Escherichia coli BL21[DE3] assessed as [3H]AMP formation preincubated for 15 mins f...				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50533824 (CHEMBL4574016) Show SMILES CC(=O)Nc1nc(nc2oc(nc12)-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C19H13ClN4O2/c1-11(25)21-17-15-19(24-16(23-17)12-5-3-2-4-6-12)26-18(22-15)13-7-9-14(20)10-8-13/h2-10H,1H3,(H,21,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.52E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human Adk-short expressed in Escherichia coli BL21[DE3] assessed as [3H]AMP formation preincubated for 15 mins f...				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50533826 (CHEMBL4520524) Show SMILES CN1C(=O)c2nc(nc(c2C1=O)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C19H13N3O2/c1-22-18(23)14-15(12-8-4-2-5-9-12)20-17(21-16(14)19(22)24)13-10-6-3-7-11-13/h2-11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.54E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human Adk-short expressed in Escherichia coli BL21[DE3] assessed as [3H]AMP formation preincubated for 15 mins f...				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50533826 (CHEMBL4520524) Show SMILES CN1C(=O)c2nc(nc(c2C1=O)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C19H13N3O2/c1-22-18(23)14-15(12-8-4-2-5-9-12)20-17(21-16(14)19(22)24)13-10-6-3-7-11-13/h2-11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat striatal adenosine A2A receptor using [3H]MXS-2 measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50533832 (CHEMBL4524434) Show SMILES Sc1nnc2c3c(nc(-c4ccccc4Cl)n12)sc1ccccc31 Show InChI InChI=1S/C17H9ClN4S2/c18-11-7-3-1-5-9(11)14-19-16-13(15-20-21-17(23)22(14)15)10-6-2-4-8-12(10)24-16/h1-8H,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat cortex adenosine A1 receptor using [3H]CCPA measured after 90 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50533827 (CHEMBL4457103) Show SMILES O=C1NC(=O)c2c1nc(nc2-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C18H11N3O2/c22-17-13-14(11-7-3-1-4-8-11)19-16(12-9-5-2-6-10-12)20-15(13)18(23)21-17/h1-10H,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat striatal adenosine A2A receptor using [3H]MXS-2 measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
					More data for this Ligand-Target Pair