Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'bormans' and Initial = 'gm'   

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
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50349311 (CHEMBL1807841) Show SMILES Cc1c(CCN2CCOCC2)c2cc(OCCF)ccc2n1C(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C24H25Cl2FN2O3/c1-16-18(7-9-28-10-13-31-14-11-28)20-15-17(32-12-8-27)5-6-22(20)29(16)24(30)19-3-2-4-21(25)23(19)26/h2-6,15H,7-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IMIR K.U. Leuven Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hrs by beta counting				Bioorg Med Chem 19: 4499-505 (2011) Article DOI: 10.1016/j.bmc.2011.06.033 BindingDB Entry DOI: 10.7270/Q22B8ZC7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50349311 (CHEMBL1807841) Show SMILES Cc1c(CCN2CCOCC2)c2cc(OCCF)ccc2n1C(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C24H25Cl2FN2O3/c1-16-18(7-9-28-10-13-31-14-11-28)20-15-17(32-12-8-27)5-6-22(20)29(16)24(30)19-3-2-4-21(25)23(19)26/h2-6,15H,7-14H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IMIR K.U. Leuven Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hrs by beta counting				Bioorg Med Chem 19: 4499-505 (2011) Article DOI: 10.1016/j.bmc.2011.06.033 BindingDB Entry DOI: 10.7270/Q22B8ZC7
					More data for this Ligand-Target Pair
Thymidine kinase (Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)	BDBM50205239 (3-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahyd...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1cccc(O)c1 Show InChI InChI=1S/C17H16N2O6/c20-8-14-12(22)6-15(24-14)19-7-10-5-13(25-16(10)18-17(19)23)9-2-1-3-11(21)4-9/h1-5,7,12,14-15,20-22H,6,8H2/t12-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Katholieke Universiteit Leuven Curated by ChEMBL					Assay Description Inhibition of VZV thymidine kinase				Bioorg Med Chem Lett 17: 3458-62 (2007) Article DOI: 10.1016/j.bmcl.2007.03.081 BindingDB Entry DOI: 10.7270/Q2V40TVW
					More data for this Ligand-Target Pair
Thymidine kinase (Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)	BDBM50211001 (6-(3-hydroxy-4-iodophenyl)-3-((2R,4S,5R)-4-hydroxy...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1ccc(I)c(O)c1 Show InChI InChI=1S/C17H15IN2O6/c18-10-2-1-8(3-11(10)22)13-4-9-6-20(17(24)19-16(9)26-13)15-5-12(23)14(7-21)25-15/h1-4,6,12,14-15,21-23H,5,7H2/t12-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Katholieke Universiteit Leuven Curated by ChEMBL					Assay Description Inhibition of VZV thymidine kinase				Bioorg Med Chem Lett 17: 3458-62 (2007) Article DOI: 10.1016/j.bmcl.2007.03.081 BindingDB Entry DOI: 10.7270/Q2V40TVW
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50205237 (9-(4-fluoro-3-hydroxymethylbutyl)guanine | CHEMBL2...) Show SMILES Nc1nc2n(CCC(CO)CF)cnc2c(=O)[nH]1 Show InChI InChI=1S/C10H14FN5O2/c11-3-6(4-17)1-2-16-5-13-7-8(16)14-10(12)15-9(7)18/h5-6,17H,1-4H2,(H3,12,14,15,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase 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
K.U. Leuven Curated by ChEMBL					Assay Description Inhibition of recombinant HSV-1 TK assessed as [CH3-H3]dThd phosphorylation				J Med Chem 50: 1041-9 (2007) Article DOI: 10.1021/jm060964m BindingDB Entry DOI: 10.7270/Q2833RQS
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50210804 (2-Amino-9-(4-hydroxy-3-hydroxymethyl-butyl)-1,9-di...) Show SMILES Nc1nc2n(CCC(CO)CO)cnc2c(=O)[nH]1 Show InChI InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
K.U. Leuven Curated by ChEMBL					Assay Description Inhibition of recombinant HSV-1 TK assessed as [CH3-H3]dThd phosphorylation				J Med Chem 50: 1041-9 (2007) Article DOI: 10.1021/jm060964m BindingDB Entry DOI: 10.7270/Q2833RQS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50205236 (3-(2'-deoxy-beta-D-ribofuranosyl)-6-(3-fluoroethox...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1cccc(OCCF)c1 Show InChI InChI=1S/C19H19FN2O6/c20-4-5-26-13-3-1-2-11(6-13)15-7-12-9-22(19(25)21-18(12)28-15)17-8-14(24)16(10-23)27-17/h1-3,6-7,9,14,16-17,23-24H,4-5,8,10H2/t14-,16+,17+/m0/s1	PDB MMDB NCI pathway 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+5	n/a	n/a	n/a	n/a	n/a	n/a
K.U. Leuven Curated by ChEMBL					Assay Description Inhibition of recombinant cytosolic TK-1 assessed as [CH3-H3]dThd phosphorylation				J Med Chem 50: 1041-9 (2007) Article DOI: 10.1021/jm060964m BindingDB Entry DOI: 10.7270/Q2833RQS
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50205242 (3-(2'-deoxy-beta-D-ribofuranosyl)-6-(3-methoxyphen...) Show SMILES COc1cccc(c1)-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1 Show InChI InChI=1S/C18H18N2O6/c1-24-12-4-2-3-10(5-12)14-6-11-8-20(18(23)19-17(11)26-14)16-7-13(22)15(9-21)25-16/h2-6,8,13,15-16,21-22H,7,9H2,1H3/t13-,15+,16+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
K.U. Leuven Curated by ChEMBL					Assay Description Inhibition of recombinant HSV-1 TK assessed as [CH3-H3]dThd phosphorylation				J Med Chem 50: 1041-9 (2007) Article DOI: 10.1021/jm060964m BindingDB Entry DOI: 10.7270/Q2833RQS
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50205241 (3-(2'-deoxy-beta-D-ribofuranosyl)-6-(4-fluoropheny...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1ccc(F)cc1 Show InChI InChI=1S/C17H15FN2O5/c18-11-3-1-9(2-4-11)13-5-10-7-20(17(23)19-16(10)25-13)15-6-12(22)14(8-21)24-15/h1-5,7,12,14-15,21-22H,6,8H2/t12-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
K.U. Leuven Curated by ChEMBL					Assay Description Inhibition of recombinant HSV-1 TK assessed as [CH3-H3]dThd phosphorylation				J Med Chem 50: 1041-9 (2007) Article DOI: 10.1021/jm060964m BindingDB Entry DOI: 10.7270/Q2833RQS
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50205238 (3-(2'-deoxy-beta-D-ribofuranosyl)-6-(2-fluoropheny...) Show SMILES OC[C@H]1OC(C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1ccccc1F Show InChI InChI=1S/C17H15FN2O5/c18-11-4-2-1-3-10(11)13-5-9-7-20(17(23)19-16(9)25-13)15-6-12(22)14(8-21)24-15/h1-5,7,12,14-15,21-22H,6,8H2/t12-,14+,15?/m0/s1	PDB MMDB NCI pathway 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+5	n/a	n/a	n/a	n/a	n/a	n/a
K.U. Leuven Curated by ChEMBL					Assay Description Inhibition of recombinant cytosolic TK-1 assessed as [CH3-H3]dThd phosphorylation				J Med Chem 50: 1041-9 (2007) Article DOI: 10.1021/jm060964m BindingDB Entry DOI: 10.7270/Q2833RQS
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50205239 (3-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahyd...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1cccc(O)c1 Show InChI InChI=1S/C17H16N2O6/c20-8-14-12(22)6-15(24-14)19-7-10-5-13(25-16(10)18-17(19)23)9-2-1-3-11(21)4-9/h1-5,7,12,14-15,20-22H,6,8H2/t12-,14+,15+/m0/s1	PDB MMDB NCI pathway 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+5	n/a	n/a	n/a	n/a	n/a	n/a
K.U. Leuven Curated by ChEMBL					Assay Description Inhibition of recombinant cytosolic TK-1 assessed as [CH3-H3]dThd phosphorylation				J Med Chem 50: 1041-9 (2007) Article DOI: 10.1021/jm060964m BindingDB Entry DOI: 10.7270/Q2833RQS
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50205239 (3-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahyd...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1cccc(O)c1 Show InChI InChI=1S/C17H16N2O6/c20-8-14-12(22)6-15(24-14)19-7-10-5-13(25-16(10)18-17(19)23)9-2-1-3-11(21)4-9/h1-5,7,12,14-15,20-22H,6,8H2/t12-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
K.U. Leuven Curated by ChEMBL					Assay Description Inhibition of recombinant HSV-1 TK assessed as [CH3-H3]dThd phosphorylation				J Med Chem 50: 1041-9 (2007) Article DOI: 10.1021/jm060964m BindingDB Entry DOI: 10.7270/Q2833RQS
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50205238 (3-(2'-deoxy-beta-D-ribofuranosyl)-6-(2-fluoropheny...) Show SMILES OC[C@H]1OC(C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1ccccc1F Show InChI InChI=1S/C17H15FN2O5/c18-11-4-2-1-3-10(11)13-5-9-7-20(17(23)19-16(9)25-13)15-6-12(22)14(8-21)24-15/h1-5,7,12,14-15,21-22H,6,8H2/t12-,14+,15?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
K.U. Leuven Curated by ChEMBL					Assay Description Inhibition of recombinant HSV-1 TK assessed as [CH3-H3]dThd phosphorylation				J Med Chem 50: 1041-9 (2007) Article DOI: 10.1021/jm060964m BindingDB Entry DOI: 10.7270/Q2833RQS
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50228388 (3-(2'-deoxy-beta-D-ribofuranosyl)-6-(4-methoxyphen...) Show SMILES COc1ccc(cc1)-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1 Show InChI InChI=1S/C18H18N2O6/c1-24-12-4-2-10(3-5-12)14-6-11-8-20(18(23)19-17(11)26-14)16-7-13(22)15(9-21)25-16/h2-6,8,13,15-16,21-22H,7,9H2,1H3/t13-,15+,16+/m0/s1	PDB MMDB NCI pathway 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	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of human cytosolic thymidine kinase 1				J Med Chem 50: 6627-37 (2007) Article DOI: 10.1021/jm700971p BindingDB Entry DOI: 10.7270/Q29W0F7W
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50228386 (3-(2'-deoxy-beta-D-ribofuranosyl)-6-(4-hydroxyphen...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1ccc(O)cc1 Show InChI InChI=1S/C17H16N2O6/c20-8-14-12(22)6-15(24-14)19-7-10-5-13(25-16(10)18-17(19)23)9-1-3-11(21)4-2-9/h1-5,7,12,14-15,20-22H,6,8H2/t12-,14+,15+/m0/s1	PDB MMDB NCI pathway 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+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of human cytosolic thymidine kinase 1				J Med Chem 50: 6627-37 (2007) Article DOI: 10.1021/jm700971p BindingDB Entry DOI: 10.7270/Q29W0F7W
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50228389 (3-(2'-deoxy-beta-D-ribofuranosyl)-6-(4-(1-fluoroet...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1ccc(OCCF)cc1 Show InChI InChI=1S/C19H19FN2O6/c20-5-6-26-13-3-1-11(2-4-13)15-7-12-9-22(19(25)21-18(12)28-15)17-8-14(24)16(10-23)27-17/h1-4,7,9,14,16-17,23-24H,5-6,8,10H2/t14-,16+,17+/m0/s1	PDB MMDB NCI pathway 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+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of human cytosolic thymidine kinase 1				J Med Chem 50: 6627-37 (2007) Article DOI: 10.1021/jm700971p BindingDB Entry DOI: 10.7270/Q29W0F7W
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50228387 (3-(2'-deoxy-beta-D-ribofuranosyl)-6-(3-(1-fluorohe...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1cccc(OCCCCCCF)c1 Show InChI InChI=1S/C23H27FN2O6/c24-8-3-1-2-4-9-30-17-7-5-6-15(10-17)19-11-16-13-26(23(29)25-22(16)32-19)21-12-18(28)20(14-27)31-21/h5-7,10-11,13,18,20-21,27-28H,1-4,8-9,12,14H2/t18-,20+,21+/m0/s1	PDB MMDB NCI pathway 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+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of human cytosolic thymidine kinase 1				J Med Chem 50: 6627-37 (2007) Article DOI: 10.1021/jm700971p BindingDB Entry DOI: 10.7270/Q29W0F7W
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50228390 (3-(2'-deoxy-beta-D-ribofuranosyl)-6-(4-(1-fluorohe...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1ccc(OCCCCCCF)cc1 Show InChI InChI=1S/C23H27FN2O6/c24-9-3-1-2-4-10-30-17-7-5-15(6-8-17)19-11-16-13-26(23(29)25-22(16)32-19)21-12-18(28)20(14-27)31-21/h5-8,11,13,18,20-21,27-28H,1-4,9-10,12,14H2/t18-,20+,21+/m0/s1	PDB MMDB NCI pathway 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+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of human cytosolic thymidine kinase 1				J Med Chem 50: 6627-37 (2007) Article DOI: 10.1021/jm700971p BindingDB Entry DOI: 10.7270/Q29W0F7W
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50205241 (3-(2'-deoxy-beta-D-ribofuranosyl)-6-(4-fluoropheny...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1ccc(F)cc1 Show InChI InChI=1S/C17H15FN2O5/c18-11-3-1-9(2-4-11)13-5-10-7-20(17(23)19-16(10)25-13)15-6-12(22)14(8-21)24-15/h1-5,7,12,14-15,21-22H,6,8H2/t12-,14+,15+/m0/s1	PDB MMDB NCI pathway 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+5	n/a	n/a	n/a	n/a	n/a	n/a
K.U. Leuven Curated by ChEMBL					Assay Description Inhibition of recombinant cytosolic TK-1 assessed as [CH3-H3]dThd phosphorylation				J Med Chem 50: 1041-9 (2007) Article DOI: 10.1021/jm060964m BindingDB Entry DOI: 10.7270/Q2833RQS
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50205242 (3-(2'-deoxy-beta-D-ribofuranosyl)-6-(3-methoxyphen...) Show SMILES COc1cccc(c1)-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1 Show InChI InChI=1S/C18H18N2O6/c1-24-12-4-2-3-10(5-12)14-6-11-8-20(18(23)19-17(11)26-14)16-7-13(22)15(9-21)25-16/h2-6,8,13,15-16,21-22H,7,9H2,1H3/t13-,15+,16+/m0/s1	PDB MMDB NCI pathway 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+5	n/a	n/a	n/a	n/a	n/a	n/a
K.U. Leuven Curated by ChEMBL					Assay Description Inhibition of recombinant cytosolic TK-1 assessed as [CH3-H3]dThd phosphorylation				J Med Chem 50: 1041-9 (2007) Article DOI: 10.1021/jm060964m BindingDB Entry DOI: 10.7270/Q2833RQS
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50205236 (3-(2'-deoxy-beta-D-ribofuranosyl)-6-(3-fluoroethox...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1cccc(OCCF)c1 Show InChI InChI=1S/C19H19FN2O6/c20-4-5-26-13-3-1-2-11(6-13)15-7-12-9-22(19(25)21-18(12)28-15)17-8-14(24)16(10-23)27-17/h1-3,6-7,9,14,16-17,23-24H,4-5,8,10H2/t14-,16+,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
K.U. Leuven Curated by ChEMBL					Assay Description Inhibition of recombinant HSV-1 TK assessed as [CH3-H3]dThd phosphorylation				J Med Chem 50: 1041-9 (2007) Article DOI: 10.1021/jm060964m BindingDB Entry DOI: 10.7270/Q2833RQS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50349311 (CHEMBL1807841) Show SMILES Cc1c(CCN2CCOCC2)c2cc(OCCF)ccc2n1C(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C24H25Cl2FN2O3/c1-16-18(7-9-28-10-13-31-14-11-28)20-15-17(32-12-8-27)5-6-22(20)29(16)24(30)19-3-2-4-21(25)23(19)26/h2-6,15H,7-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	17.9	n/a	n/a	n/a	n/a
IMIR K.U. Leuven Curated by ChEMBL					Assay Description Inverse agonist activity at human CB2 receptor expressed in CHO cells assessed as effect on [35S]-GTPgammaS binding after 1 hrs by beta counting				Bioorg Med Chem 19: 4499-505 (2011) Article DOI: 10.1016/j.bmc.2011.06.033 BindingDB Entry DOI: 10.7270/Q22B8ZC7
					More data for this Ligand-Target Pair