Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'torti' and Initial = 'a'   

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 (Homo sapiens (Human))	BDBM50339514 ((+/-)-6-Ethyl-6-[4-[(2-chlorophenylthio)methyl]phe...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccccc2Cl)cc1 Show InChI InChI=1S/C27H22ClNO2S/c1-2-27(20-15-13-19(14-16-20)18-32-25-12-6-3-8-21(25)28)26(30)23-10-7-17-29(23)22-9-4-5-11-24(22)31-27/h3-17H,2,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339521 ((+/-)-6-Ethyl-6-[4-[(4-fluorophenylthio)methyl]phe...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(F)cc2)cc1 Show InChI InChI=1S/C27H22FNO2S/c1-2-27(20-11-9-19(10-12-20)18-32-22-15-13-21(28)14-16-22)26(30)24-7-5-17-29(24)23-6-3-4-8-25(23)31-27/h3-17H,2,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339501 ((+/-)-6-Ethyl-6-[4-[(2-chloro-4-iodophenyloxy)meth...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(COc2ccc(I)cc2Cl)cc1 Show InChI InChI=1S/C27H21ClINO3/c1-2-27(26(31)23-7-5-15-30(23)22-6-3-4-8-25(22)33-27)19-11-9-18(10-12-19)17-32-24-14-13-20(29)16-21(24)28/h3-16H,2,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339512 ((+/-)-6-Ethyl-6-[4-[(phenylthio)methyl]phenyl]-6,7...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccccc2)cc1 Show InChI InChI=1S/C27H23NO2S/c1-2-27(21-16-14-20(15-17-21)19-31-22-9-4-3-5-10-22)26(29)24-12-8-18-28(24)23-11-6-7-13-25(23)30-27/h3-18H,2,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339522 ((+/-)-6-Ethyl-6-[4-[(4-bromophenylthio)methyl]phen...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(Br)cc2)cc1 Show InChI InChI=1S/C27H22BrNO2S/c1-2-27(20-11-9-19(10-12-20)18-32-22-15-13-21(28)14-16-22)26(30)24-7-5-17-29(24)23-6-3-4-8-25(23)31-27/h3-17H,2,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339495 ((+/-)-6-Ethyl-6-[4-[(2-chloro-4-iodophenylthio)met...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(I)cc2Cl)cc1 Show InChI InChI=1S/C27H21ClINO2S/c1-2-27(26(31)23-7-5-15-30(23)22-6-3-4-8-24(22)32-27)19-11-9-18(10-12-19)17-33-25-14-13-20(29)16-21(25)28/h3-16H,2,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339510 ((+/-)-6-Ethyl-6-[4-[[4-[2-(trimethylsilyl)ethynyl]...) Show SMILES CCC1(Sc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(cc2)C#C[Si](C)(C)C)cc1 Show InChI InChI=1S/C32H31NOS2Si/c1-5-32(31(34)29-10-8-21-33(29)28-9-6-7-11-30(28)36-32)26-16-12-25(13-17-26)23-35-27-18-14-24(15-19-27)20-22-37(2,3)4/h6-19,21H,5,23H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339509 ((+/-)-6-Ethyl-6-[4-[(4-iodophenylthio)methyl]pheny...) Show SMILES CCC1(Sc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(I)cc2)cc1 Show InChI InChI=1S/C27H22INOS2/c1-2-27(20-11-9-19(10-12-20)18-31-22-15-13-21(28)14-16-22)26(30)24-7-5-17-29(24)23-6-3-4-8-25(23)32-27/h3-17H,2,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339536 ((+/-)-6-Ethyl-6-[4-[(2-chloro-4-fluorophenylthio)m...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(F)cc2Cl)cc1 Show InChI InChI=1S/C27H21ClFNO2S/c1-2-27(26(31)23-7-5-15-30(23)22-6-3-4-8-24(22)32-27)19-11-9-18(10-12-19)17-33-25-14-13-20(29)16-21(25)28/h3-16H,2,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339518 ((+/-)-6-Ethyl-6-[4-[(3-trifluoromethylphenylthio)m...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C28H22F3NO2S/c1-2-27(26(33)24-10-6-16-32(24)23-9-3-4-11-25(23)34-27)20-14-12-19(13-15-20)18-35-22-8-5-7-21(17-22)28(29,30)31/h3-17H,2,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339523 ((+/-)-6-Ethyl-6-[4-[(4-iodophenylthio)methyl]pheny...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(I)cc2)cc1 Show InChI InChI=1S/C27H22INO2S/c1-2-27(20-11-9-19(10-12-20)18-32-22-15-13-21(28)14-16-22)26(30)24-7-5-17-29(24)23-6-3-4-8-25(23)31-27/h3-17H,2,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339531 ((+/-)-6-Ethyl-6-[4-[(2,3-dichlorophenylthio)methyl...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2cccc(Cl)c2Cl)cc1 Show InChI InChI=1S/C27H21Cl2NO2S/c1-2-27(26(31)22-9-6-16-30(22)21-8-3-4-10-23(21)32-27)19-14-12-18(13-15-19)17-33-24-11-5-7-20(28)25(24)29/h3-16H,2,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339529 ((+/-)-6-Ethyl-6-[4-[(2-methyl-6-chlorophenylthio)m...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2c(C)cccc2Cl)cc1 Show InChI InChI=1S/C28H24ClNO2S/c1-3-28(27(31)24-11-7-17-30(24)23-10-4-5-12-25(23)32-28)21-15-13-20(14-16-21)18-33-26-19(2)8-6-9-22(26)29/h4-17H,3,18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339520 ((+/-)-6-Ethyl-6-[4-[(3-trifluoromethoxyphenylthio)...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2cccc(OC(F)(F)F)c2)cc1 Show InChI InChI=1S/C28H22F3NO3S/c1-2-27(26(33)24-10-6-16-32(24)23-9-3-4-11-25(23)35-27)20-14-12-19(13-15-20)18-36-22-8-5-7-21(17-22)34-28(29,30)31/h3-17H,2,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339498 ((+/-)-6-Ethyl-6-[4-[(2-imidazolylthio)methyl]pheny...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ncc[nH]2)cc1 Show InChI InChI=1S/C24H21N3O2S/c1-2-24(18-11-9-17(10-12-18)16-30-23-25-13-14-26-23)22(28)20-7-5-15-27(20)19-6-3-4-8-21(19)29-24/h3-15H,2,16H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339517 ((+/-)-6-Ethyl-6-[4-[(3-chlorophenylthio)methyl]phe...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C27H22ClNO2S/c1-2-27(20-14-12-19(13-15-20)18-32-22-8-5-7-21(28)17-22)26(30)24-10-6-16-29(24)23-9-3-4-11-25(23)31-27/h3-17H,2,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339505 ((+/-)-6-[4-[(Phenylthio)methyl]phenyl]-6,7-dihydro...) Show SMILES O=C1C(Oc2ccccc2-n2cccc12)c1ccc(CSc2ccccc2)cc1 Show InChI InChI=1S/C25H19NO2S/c27-24-22-10-6-16-26(22)21-9-4-5-11-23(21)28-25(24)19-14-12-18(13-15-19)17-29-20-7-2-1-3-8-20/h1-16,25H,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339516 ((+/-)-6-Ethyl-6-[4-[(3-fluorophenylthio)methyl]phe...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2cccc(F)c2)cc1 Show InChI InChI=1S/C27H22FNO2S/c1-2-27(20-14-12-19(13-15-20)18-32-22-8-5-7-21(28)17-22)26(30)24-10-6-16-29(24)23-9-3-4-11-25(23)31-27/h3-17H,2,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339506 ((+/-)-6-[4-[(2-Chlorophenylthio)methyl]phenyl]-6,7...) Show SMILES Clc1ccccc1SCc1ccc(cc1)C1Oc2ccccc2-n2cccc2C1=O Show InChI InChI=1S/C25H18ClNO2S/c26-19-6-1-4-10-23(19)30-16-17-11-13-18(14-12-17)25-24(28)21-8-5-15-27(21)20-7-2-3-9-22(20)29-25/h1-15,25H,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339497 ((+/-)-6-Ethyl-6-[4-[(2-pyridylthio)methyl]phenyl]-...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccccn2)cc1 Show InChI InChI=1S/C26H22N2O2S/c1-2-26(20-14-12-19(13-15-20)18-31-24-11-5-6-16-27-24)25(29)22-9-7-17-28(22)21-8-3-4-10-23(21)30-26/h3-17H,2,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339513 ((+/-)-6-Ethyl-6-[4-[(2-fluorophenylthio)methyl]phe...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccccc2F)cc1 Show InChI InChI=1S/C27H22FNO2S/c1-2-27(20-15-13-19(14-16-20)18-32-25-12-6-3-8-21(25)28)26(30)23-10-7-17-29(23)22-9-4-5-11-24(22)31-27/h3-17H,2,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339508 ((+/-)-6-Ethyl-6-[4-[(2-chlorophenylthio)methyl]phe...) Show SMILES CCC1(Sc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccccc2Cl)cc1 Show InChI InChI=1S/C27H22ClNOS2/c1-2-27(20-15-13-19(14-16-20)18-31-24-11-5-3-8-21(24)28)26(30)23-10-7-17-29(23)22-9-4-6-12-25(22)32-27/h3-17H,2,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339524 ((+/-)-6-Ethyl-6-[4-[(4-nitrophenylthio)methyl]phen...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C27H22N2O4S/c1-2-27(26(30)24-7-5-17-28(24)23-6-3-4-8-25(23)33-27)20-11-9-19(10-12-20)18-34-22-15-13-21(14-16-22)29(31)32/h3-17H,2,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339525 ((+/-)-6-Ethyl-6-[4-[(4-trifluoromethoxyphenylthio)...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C28H22F3NO3S/c1-2-27(26(33)24-7-5-17-32(24)23-6-3-4-8-25(23)35-27)20-11-9-19(10-12-20)18-36-22-15-13-21(14-16-22)34-28(29,30)31/h3-17H,2,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339499 ((+/-)-6-Ethyl-6-[4-[(2-pyrazylthio)methyl]phenyl]-...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2cnccn2)cc1 Show InChI InChI=1S/C25H21N3O2S/c1-2-25(19-11-9-18(10-12-19)17-31-23-16-26-13-14-27-23)24(29)21-7-5-15-28(21)20-6-3-4-8-22(20)30-25/h3-16H,2,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339500 ((+/-)-6-Ethyl-6-[4-[(2-pyrimidylthio)methyl]phenyl...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ncccn2)cc1 Show InChI InChI=1S/C25H21N3O2S/c1-2-25(19-12-10-18(11-13-19)17-31-24-26-14-6-15-27-24)23(29)21-8-5-16-28(21)20-7-3-4-9-22(20)30-25/h3-16H,2,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339496 ((+/-)-6-Ethyl-6-[4-[(2,3,5,6-tetrafluorophenylthio...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2c(F)c(F)cc(F)c2F)cc1 Show InChI InChI=1S/C27H19F4NO2S/c1-2-27(26(33)21-7-5-13-32(21)20-6-3-4-8-22(20)34-27)17-11-9-16(10-12-17)15-35-25-23(30)18(28)14-19(29)24(25)31/h3-14H,2,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339502 ((+/-)-6-Ethyl-6-[4-[3-(2-hydroxy)ethylphenoxymethy...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(COc2cccc(CCO)c2)cc1 Show InChI InChI=1S/C29H27NO4/c1-2-29(28(32)26-10-6-17-30(26)25-9-3-4-11-27(25)34-29)23-14-12-22(13-15-23)20-33-24-8-5-7-21(19-24)16-18-31/h3-15,17,19,31H,2,16,18,20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339507 ((+/-)-6-[4-[(3-Trifluoromethylphenylthio)methyl]ph...) Show SMILES FC(F)(F)c1cccc(SCc2ccc(cc2)C2Oc3ccccc3-n3cccc3C2=O)c1 Show InChI InChI=1S/C26H18F3NO2S/c27-26(28,29)19-5-3-6-20(15-19)33-16-17-10-12-18(13-11-17)25-24(31)22-8-4-14-30(22)21-7-1-2-9-23(21)32-25/h1-15,25H,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339535 ((+/-)-6-Ethyl-6-[4-[(2,4-difluorophenylthio)methyl...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(F)cc2F)cc1 Show InChI InChI=1S/C27H21F2NO2S/c1-2-27(26(31)23-7-5-15-30(23)22-6-3-4-8-24(22)32-27)19-11-9-18(10-12-19)17-33-25-14-13-20(28)16-21(25)29/h3-16H,2,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339534 ((+/-)-6-Ethyl-6-[4-[(3,4-dichlorophenylthio)methyl...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C27H21Cl2NO2S/c1-2-27(26(31)24-7-5-15-30(24)23-6-3-4-8-25(23)32-27)19-11-9-18(10-12-19)17-33-20-13-14-21(28)22(29)16-20/h3-16H,2,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339527 ((+/-)-6-Ethyl-6-[4-[[4-[2-(trimethylsilyl)ethynyl]...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(cc2)C#C[Si](C)(C)C)cc1 Show InChI InChI=1S/C32H31NO2SSi/c1-5-32(31(34)29-10-8-21-33(29)28-9-6-7-11-30(28)35-32)26-16-12-25(13-17-26)23-36-27-18-14-24(15-19-27)20-22-37(2,3)4/h6-19,21H,5,23H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339493 ((+/-)-6-Ethyl-6-[4-[(3-chloro-4-fluorophenylthio)m...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(F)c(Cl)c2)cc1 Show InChI InChI=1S/C27H21ClFNO2S/c1-2-27(26(31)24-7-5-15-30(24)23-6-3-4-8-25(23)32-27)19-11-9-18(10-12-19)17-33-20-13-14-22(29)21(28)16-20/h3-16H,2,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339519 ((+/-)-6-Ethyl-6-[4-[(3-methoxyphenylthio)methyl]ph...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2cccc(OC)c2)cc1 Show InChI InChI=1S/C28H25NO3S/c1-3-28(27(30)25-11-7-17-29(25)24-10-4-5-12-26(24)32-28)21-15-13-20(14-16-21)19-33-23-9-6-8-22(18-23)31-2/h4-18H,3,19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339532 ((+/-)-6-Ethyl-6-[4-[(2,5-dichlorophenylthio)methyl...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 Show InChI InChI=1S/C27H21Cl2NO2S/c1-2-27(26(31)23-7-5-15-30(23)22-6-3-4-8-24(22)32-27)19-11-9-18(10-12-19)17-33-25-16-20(28)13-14-21(25)29/h3-16H,2,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339526 ((+/-)-6-Ethyl-6-[4-[(4-methoxyphenylthio)methyl]ph...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(OC)cc2)cc1 Show InChI InChI=1S/C28H25NO3S/c1-3-28(27(30)25-8-6-18-29(25)24-7-4-5-9-26(24)32-28)21-12-10-20(11-13-21)19-33-23-16-14-22(31-2)15-17-23/h4-18H,3,19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339528 ((+/-)-6-Ethyl-6-[4-[(4-ethynylphenylthio)methyl]ph...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(cc2)C#C)cc1 Show InChI InChI=1S/C29H23NO2S/c1-3-21-13-17-24(18-14-21)33-20-22-11-15-23(16-12-22)29(4-2)28(31)26-9-7-19-30(26)25-8-5-6-10-27(25)32-29/h1,5-19H,4,20H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339530 ((+)-6-Ethyl-6-[4-[(2,6-dichlorophenylthio)methyl]p...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C27H21Cl2NO2S/c1-2-27(26(31)23-10-6-16-30(23)22-9-3-4-11-24(22)32-27)19-14-12-18(13-15-19)17-33-25-20(28)7-5-8-21(25)29/h3-16H,2,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339530 ((+)-6-Ethyl-6-[4-[(2,6-dichlorophenylthio)methyl]p...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C27H21Cl2NO2S/c1-2-27(26(31)23-10-6-16-30(23)22-9-3-4-11-24(22)32-27)19-14-12-18(13-15-19)17-33-25-20(28)7-5-8-21(25)29/h3-16H,2,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339515 ((+/-)-6-Ethyl-6-[4-[(3-methylphenylthio)methyl]phe...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2cccc(C)c2)cc1 Show InChI InChI=1S/C28H25NO2S/c1-3-28(22-15-13-21(14-16-22)19-32-23-9-6-8-20(2)18-23)27(30)25-11-7-17-29(25)24-10-4-5-12-26(24)31-28/h4-18H,3,19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339533 ((+/-)-6-Ethyl-6-[4-[(2,4-dichlorophenylthio)methyl...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C27H21Cl2NO2S/c1-2-27(26(31)23-7-5-15-30(23)22-6-3-4-8-24(22)32-27)19-11-9-18(10-12-19)17-33-25-14-13-20(28)16-21(25)29/h3-16H,2,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339494 ((+/-)-6-Ethyl-6-[4-[(2,5-dimethoxyphenylthio)methy...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2cc(OC)ccc2OC)cc1 Show InChI InChI=1S/C29H27NO4S/c1-4-29(28(31)24-9-7-17-30(24)23-8-5-6-10-25(23)34-29)21-13-11-20(12-14-21)19-35-27-18-22(32-2)15-16-26(27)33-3/h5-18H,4,19H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339530 ((+)-6-Ethyl-6-[4-[(2,6-dichlorophenylthio)methyl]p...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C27H21Cl2NO2S/c1-2-27(26(31)23-10-6-16-30(23)22-9-3-4-11-24(22)32-27)19-14-12-18(13-15-19)17-33-25-20(28)7-5-8-21(25)29/h3-16H,2,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50082063 ((+/-)-6-ethyl-6-(p-tolyl)pyrrolo[2,1-d][1,5]benzox...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(C)cc1 Show InChI InChI=1S/C21H19NO2/c1-3-21(16-12-10-15(2)11-13-16)20(23)18-8-6-14-22(18)17-7-4-5-9-19(17)24-21/h4-14H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50052046 (5-Ethyl-5-phenyl-6-oxa-10b-aza-benzo[e]azulen-4-on...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccccc1 Show InChI InChI=1S/C20H17NO2/c1-2-20(15-9-4-3-5-10-15)19(22)17-12-8-14-21(17)16-11-6-7-13-18(16)23-20/h3-14H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50052061 (5-Phenyl-6-oxa-10b-aza-benzo[e]azulen-4-one | CHEM...) Show SMILES O=C1C(Oc2ccccc2-n2cccc12)c1ccccc1 Show InChI InChI=1S/C18H13NO2/c20-17-15-10-6-12-19(15)14-9-4-5-11-16(14)21-18(17)13-7-2-1-3-8-13/h1-12,18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50041512 (5-Phenyl-6-thia-10b-aza-benzo[e]azulen-4-one | CHE...) Show SMILES O=C1C(Sc2ccccc2-n2cccc12)c1ccccc1 Show InChI InChI=1S/C18H13NOS/c20-17-15-10-6-12-19(15)14-9-4-5-11-16(14)21-18(17)13-7-2-1-3-8-13/h1-12,18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50082057 ((+/-)-5-ethyl-5-m-tolyl-6-oxa-10b-aza-benzo[e]azul...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(C)c1 Show InChI InChI=1S/C21H19NO2/c1-3-21(16-9-6-8-15(2)14-16)20(23)18-11-7-13-22(18)17-10-4-5-12-19(17)24-21/h4-14H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339504 ((+/-)-6-Ethyl-6-[4-[3-(2-pyrrolidin-1-yl)ethylphen...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(COc2cccc(CCN3CCCC3)c2)cc1 Show InChI InChI=1S/C33H34N2O3/c1-2-33(32(36)30-12-8-21-35(30)29-11-3-4-13-31(29)38-33)27-16-14-26(15-17-27)24-37-28-10-7-9-25(23-28)18-22-34-19-5-6-20-34/h3-4,7-17,21,23H,2,5-6,18-20,22,24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50339503 ((+/-)-6-Ethyl-6-[4-[3-(2-diethylamino)ethylphenoxy...) Show SMILES CCN(CC)CCc1cccc(OCc2ccc(cc2)C2(CC)Oc3ccccc3-n3cccc3C2=O)c1 Show InChI InChI=1S/C33H36N2O3/c1-4-33(32(36)30-14-10-21-35(30)29-13-7-8-15-31(29)38-33)27-18-16-26(17-19-27)24-37-28-12-9-11-25(23-28)20-22-34(5-2)6-3/h7-19,21,23H,4-6,20,22,24H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair

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