Compile Data Set for Download or QSAR

Found 37 hits of ki for UniProtKB: P55263   

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 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 (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 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	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human placental adenosine kinase				J Med Chem 36: 3424-30 (1993) BindingDB Entry DOI: 10.7270/Q2NG4R8J
					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	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of adhenosine kinase				Proc Natl Acad Sci USA 104: 20523-8 (2007) Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH
					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	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of purified human adenosine kinase using varying levels of [3H]Ado as substrate in presence of adenosine deaminase inhibitor deoxycoformyc...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50368712 (CHEMBL608051) Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H12IN5O4/c11-7-4-8(12)13-2-14-9(4)16(15-7)10-6(19)5(18)3(1-17)20-10/h2-3,5-6,10,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,10?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human placental adenosine kinase				J Med Chem 36: 3424-30 (1993) BindingDB Entry DOI: 10.7270/Q2NG4R8J
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50368710 (CHEMBL607761) Show SMILES NC[C@H]1OC([C@H](O)[C@@H]1O)n1nc(I)c2c(N)ncnc12 |r| Show InChI InChI=1S/C10H13IN6O3/c11-7-4-8(13)14-2-15-9(4)17(16-7)10-6(19)5(18)3(1-12)20-10/h2-3,5-6,10,18-19H,1,12H2,(H2,13,14,15)/t3-,5-,6-,10?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human placental adenosine kinase				J Med Chem 36: 3424-30 (1993) BindingDB Entry DOI: 10.7270/Q2NG4R8J
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50368709 (CHEMBL607766) Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CF)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H11FIN5O3/c11-1-3-5(18)6(19)10(20-3)17-9-4(7(12)16-17)8(13)14-2-15-9/h2-3,5-6,10,18-19H,1H2,(H2,13,14,15)/t3-,5-,6-,10?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human placental adenosine kinase				J Med Chem 36: 3424-30 (1993) BindingDB Entry DOI: 10.7270/Q2NG4R8J
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50368707 (CHEMBL612205) Show SMILES C[C@H]1OC([C@H](O)[C@@H]1O)n1nc(I)c2c(N)ncnc12 |r| Show InChI InChI=1S/C10H12IN5O3/c1-3-5(17)6(18)10(19-3)16-9-4(7(11)15-16)8(12)13-2-14-9/h2-3,5-6,10,17-18H,1H3,(H2,12,13,14)/t3-,5-,6-,10?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human placental adenosine kinase				J Med Chem 36: 3424-30 (1993) BindingDB Entry DOI: 10.7270/Q2NG4R8J
					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 kinase (Homo sapiens (Human))	BDBM50614446 (CHEMBL5283680) Show SMILES C[C@@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](Cn2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		232	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50368708 (CHEMBL611890) Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H11ClIN5O3/c11-1-3-5(18)6(19)10(20-3)17-9-4(7(12)16-17)8(13)14-2-15-9/h2-3,5-6,10,18-19H,1H2,(H2,13,14,15)/t3-,5-,6-,10?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human placental adenosine kinase				J Med Chem 36: 3424-30 (1993) BindingDB Entry DOI: 10.7270/Q2NG4R8J
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50524383 (CHEMBL4442160) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1cccc(CN2CCOCC2)c1 |r| Show InChI InChI=1S/C31H37N7O5/c39-18-25-27(40)28(41)31(43-25)38-20-34-26-29(32-19-33-30(26)38)37-10-8-36(9-11-37)24-6-4-22(5-7-24)23-3-1-2-21(16-23)17-35-12-14-42-15-13-35/h1-7,16,19-20,25,27-28,31,39-41H,8-15,17-18H2/t25-,27-,28-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50524385 (CHEMBL4463459) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C26H26F3N7O4/c27-26(28,29)19-6-3-16(11-30-19)15-1-4-17(5-2-15)34-7-9-35(10-8-34)23-20-24(32-13-31-23)36(14-33-20)25-22(39)21(38)18(12-37)40-25/h1-6,11,13-14,18,21-22,25,37-39H,7-10,12H2/t18-,21-,22-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50100587 ((2R,3R,4S,5R)-2-(6-Amino-5-nitro-pyrimidin-4-ylami...) Show SMILES Nc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N+]([O-])=O Show InChI InChI=1S/C9H13N5O6/c10-7-4(14(18)19)8(12-2-11-7)13-9-6(17)5(16)3(1-15)20-9/h2-3,5-6,9,15-17H,1H2,(H3,10,11,12,13)/t3-,5-,6-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nucleic Acid Research Institute Curated by ChEMBL					Assay Description Inhibition of adenosine kinase from undialyzed W1-L2 lysate (0-50 uM)				J Med Chem 31: 786-90 (1988) Checked by Author BindingDB Entry DOI: 10.7270/Q20R9PZF
					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))	BDBM50524391 (CHEMBL2042164) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C20H24N6O4/c27-10-14-16(28)17(29)20(30-14)26-12-23-15-18(21-11-22-19(15)26)25-8-6-24(7-9-25)13-4-2-1-3-5-13/h1-5,11-12,14,16-17,20,27-29H,6-10H2/t14-,16-,17-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					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))	BDBM50368706 (CHEMBL607762) Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H11IN8O3/c11-7-4-8(12)14-2-15-9(4)19(17-7)10-6(21)5(20)3(22-10)1-16-18-13/h2-3,5-6,10,20-21H,1H2,(H2,12,14,15)/t3-,5-,6-,10?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human placental adenosine kinase				J Med Chem 36: 3424-30 (1993) BindingDB Entry DOI: 10.7270/Q2NG4R8J
					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 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 kinase (Homo sapiens (Human))	BDBM50456504 (CHEMBL4214720) Show SMILES O=C1C(Sc2ccccc2-n2cccc12)c1cccc2ccccc12 Show InChI InChI=1S/C22H15NOS/c24-21-19-12-6-14-23(19)18-11-3-4-13-20(18)25-22(21)17-10-5-8-15-7-1-2-9-16(15)17/h1-14,22H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena via Aldo Moro 2 Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged AK using [2,8-3H]-adenosine as substrate after 20 mins by microbeta counting method				Eur J Med Chem 138: 438-457 (2017) Article DOI: 10.1016/j.ejmech.2017.06.017 BindingDB Entry DOI: 10.7270/Q2B27XVF
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50524384 (CHEMBL4458246) Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C27H30N6O3/c34-15-20-14-22(25(36)24(20)35)33-17-30-23-26(28-16-29-27(23)33)32-12-10-31(11-13-32)21-8-6-19(7-9-21)18-4-2-1-3-5-18/h1-9,16-17,20,22,24-25,34-36H,10-15H2/t20-,22-,24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50524386 (CHEMBL4474951) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)C#Cc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C24H20N4O4/c29-12-19-21(30)22(31)24(32-19)28-14-27-20-18(25-13-26-23(20)28)11-8-15-6-9-17(10-7-15)16-4-2-1-3-5-16/h1-7,9-10,13-14,19,21-22,24,29-31H,12H2/t19-,21-,22-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50524392 (CHEMBL4475059) Show SMILES COc1ccc(cn1)-c1ccc(cc1)N1CCN(CC1)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C26H29N7O5/c1-37-20-7-4-17(12-27-20)16-2-5-18(6-3-16)31-8-10-32(11-9-31)24-21-25(29-14-28-24)33(15-30-21)26-23(36)22(35)19(13-34)38-26/h2-7,12,14-15,19,22-23,26,34-36H,8-11,13H2,1H3/t19-,22-,23-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50524388 (CHEMBL4449169) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)-c1ccc(cc1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C24H20N4O4/c29-12-18-21(30)22(31)24(32-18)28-14-27-20-19(25-13-26-23(20)28)17-10-8-16(9-11-17)7-6-15-4-2-1-3-5-15/h1-5,8-11,13-14,18,21-22,24,29-31H,12H2/t18-,21-,22-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50524389 (CHEMBL4525944) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H27F3N6O4/c28-27(29,30)18-5-1-16(2-6-18)17-3-7-19(8-4-17)34-9-11-35(12-10-34)24-21-25(32-14-31-24)36(15-33-21)26-23(39)22(38)20(13-37)40-26/h1-8,14-15,20,22-23,26,37-39H,9-13H2/t20-,22-,23-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50524393 (CHEMBL4448092) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ccnc12)N1CCN(CC1)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C27H29N5O4/c33-16-22-24(34)25(35)27(36-22)32-17-29-23-21(10-11-28-26(23)32)31-14-12-30(13-15-31)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-11,17,22,24-25,27,33-35H,12-16H2/t22-,24-,25-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50524387 (CHEMBL4566815) Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc(cc1)N1CCN(CC1)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C29H34N6O5/c1-29(2,39)20-7-3-18(4-8-20)19-5-9-21(10-6-19)33-11-13-34(14-12-33)26-23-27(31-16-30-26)35(17-32-23)28-25(38)24(37)22(15-36)40-28/h3-10,16-17,22,24-25,28,36-39H,11-15H2,1-2H3/t22-,24-,25-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50524390 (CHEMBL4475619) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C26H28N6O4/c33-14-20-22(34)23(35)26(36-20)32-16-29-21-24(27-15-28-25(21)32)31-12-10-30(11-13-31)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-9,15-16,20,22-23,26,33-35H,10-14H2/t20-,22-,23-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair