Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'celen' and Initial = 's'   

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
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50401389 (CHEMBL2206441) Show SMILES COc1ccc(F)cc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl Show InChI InChI=1S/C22H24ClFN4O/c1-29-19-5-4-16(24)13-17(19)15-6-9-27(10-7-15)18-8-11-28-20(12-14-2-3-14)25-26-22(28)21(18)23/h4-5,8,11,13-15H,2-3,6-7,9-10,12H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Binding affinity to DAT				J Med Chem 55: 8685-99 (2012) Article DOI: 10.1021/jm300912k BindingDB Entry DOI: 10.7270/Q2FQ9XSS
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50401387 (CHEMBL2206445) Show SMILES COc1c(F)ccc(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl Show InChI InChI=1S/C22H23ClF2N4O/c1-30-21-16(25)5-4-15(24)19(21)14-6-9-28(10-7-14)17-8-11-29-18(12-13-2-3-13)26-27-22(29)20(17)23/h4-5,8,11,13-14H,2-3,6-7,9-10,12H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Binding affinity to DAT				J Med Chem 55: 8685-99 (2012) Article DOI: 10.1021/jm300912k BindingDB Entry DOI: 10.7270/Q2FQ9XSS
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50298560 (1-(beta-D-galactopyranosyl)-4-phenyl-1,2,3-triazol...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)n1cc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C14H17N3O5/c18-7-10-11(19)12(20)13(21)14(22-10)17-6-9(15-16-17)8-4-2-1-3-5-8/h1-6,10-14,18-21H,7H2/t10-,11+,12+,13-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Katholieke Universiteit Leuven Curated by ChEMBL					Assay Description Inhibition of beta-galactosidase				Bioorg Med Chem 17: 5117-25 (2009) Article DOI: 10.1016/j.bmc.2009.05.056 BindingDB Entry DOI: 10.7270/Q2ZW1M03
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM31592 (PF-2545920 | US9138494, MP-10 | substituted pyraz...) Show SMILES Cn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1 Show InChI InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50419436 (CHEMBL1915747 | US9138494, JNJ-41510417) Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1 Show InChI InChI=1S/C26H21FN4O/c27-13-16-31-17-24(19-11-14-28-15-12-19)26(30-31)21-6-9-23(10-7-21)32-18-22-8-5-20-3-1-2-4-25(20)29-22/h1-12,14-15,17H,13,16,18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50357701 (CHEMBL1915725 | US9138494, Janssen B-3) Show SMILES Cc1cnc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)c(C)c1 Show InChI InChI=1S/C24H23FN4O/c1-17-13-18(2)23(27-14-17)16-30-21-5-3-20(4-6-21)24-22(15-29(28-24)12-9-25)19-7-10-26-11-8-19/h3-8,10-11,13-15H,9,12,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50419439 (CHEMBL1915727) Show SMILES Cc1cccc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)n1 Show InChI InChI=1S/C23H21FN4O/c1-17-3-2-4-20(26-17)16-29-21-7-5-19(6-8-21)23-22(15-28(27-23)14-11-24)18-9-12-25-13-10-18/h2-10,12-13,15H,11,14,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50419437 (CHEMBL1915742) Show SMILES COc1cccc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)n1 Show InChI InChI=1S/C23H21FN4O2/c1-29-22-4-2-3-19(26-22)16-30-20-7-5-18(6-8-20)23-21(15-28(27-23)14-11-24)17-9-12-25-13-10-17/h2-10,12-13,15H,11,14,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50357702 (CHEMBL1915726) Show SMILES COc1ccc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)nc1 Show InChI InChI=1S/C23H21FN4O2/c1-29-21-7-4-19(26-14-21)16-30-20-5-2-18(3-6-20)23-22(15-28(27-23)13-10-24)17-8-11-25-12-9-17/h2-9,11-12,14-15H,10,13,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50419442 (CHEMBL1915746) Show SMILES Cc1cnc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)c(C)c1C Show InChI InChI=1S/C25H25FN4O/c1-17-14-28-24(19(3)18(17)2)16-31-22-6-4-21(5-7-22)25-23(15-30(29-25)13-10-26)20-8-11-27-12-9-20/h4-9,11-12,14-15H,10,13,16H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50419428 (CHEMBL1915736) Show SMILES COc1cccnc1COc1ccc(cc1)-c1nn(CCF)cc1-c1ccncc1 Show InChI InChI=1S/C23H21FN4O2/c1-29-22-3-2-11-26-21(22)16-30-19-6-4-18(5-7-19)23-20(15-28(27-23)14-10-24)17-8-12-25-13-9-17/h2-9,11-13,15H,10,14,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50419423 (CHEMBL1915729) Show SMILES COc1ccc(COc2ccc(cc2)-c2nn(CC(F)(F)F)cc2-c2ccncc2)nc1 Show InChI InChI=1S/C23H19F3N4O2/c1-31-20-7-4-18(28-12-20)14-32-19-5-2-17(3-6-19)22-21(16-8-10-27-11-9-16)13-30(29-22)15-23(24,25)26/h2-13H,14-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50419426 (CHEMBL1915733) Show SMILES COc1cccnc1COc1ccc(cc1)-c1nn(CC(F)(F)F)cc1-c1ccncc1 Show InChI InChI=1S/C23H19F3N4O2/c1-31-21-3-2-10-28-20(21)14-32-18-6-4-17(5-7-18)22-19(16-8-11-27-12-9-16)13-30(29-22)15-23(24,25)26/h2-13H,14-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50401385 (CHEMBL2206447) Show SMILES COc1cc(F)cc(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl Show InChI InChI=1S/C22H23ClF2N4O/c1-30-18-12-15(24)11-16(25)20(18)14-4-7-28(8-5-14)17-6-9-29-19(10-13-2-3-13)26-27-22(29)21(17)23/h6,9,11-14H,2-5,7-8,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Displacement of [3H]JNJ-40068782 from human mGLuR2 expressed in CHO cell membrane after 60 mins by liquid scintillation counting				J Med Chem 55: 8685-99 (2012) Article DOI: 10.1021/jm300912k BindingDB Entry DOI: 10.7270/Q2FQ9XSS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50401386 (CHEMBL2206446) Show SMILES COc1ccc(F)c(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl Show InChI InChI=1S/C22H23ClF2N4O/c1-30-17-5-4-15(24)21(25)19(17)14-6-9-28(10-7-14)16-8-11-29-18(12-13-2-3-13)26-27-22(29)20(16)23/h4-5,8,11,13-14H,2-3,6-7,9-10,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Displacement of [3H]JNJ-40068782 from human mGLuR2 expressed in CHO cell membrane after 60 mins by liquid scintillation counting				J Med Chem 55: 8685-99 (2012) Article DOI: 10.1021/jm300912k BindingDB Entry DOI: 10.7270/Q2FQ9XSS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50401387 (CHEMBL2206445) Show SMILES COc1c(F)ccc(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl Show InChI InChI=1S/C22H23ClF2N4O/c1-30-21-16(25)5-4-15(24)19(21)14-6-9-28(10-7-14)17-8-11-29-18(12-13-2-3-13)26-27-22(29)20(17)23/h4-5,8,11,13-14H,2-3,6-7,9-10,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.23	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Displacement of [3H]JNJ-40068782 from human mGLuR2 expressed in CHO cell membrane after 60 mins by liquid scintillation counting				J Med Chem 55: 8685-99 (2012) Article DOI: 10.1021/jm300912k BindingDB Entry DOI: 10.7270/Q2FQ9XSS
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50419424 (CHEMBL1915730) Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2cccc(Br)n2)cc1)-c1ccncc1 Show InChI InChI=1S/C22H18BrFN4O/c23-21-3-1-2-18(26-21)15-29-19-6-4-17(5-7-19)22-20(14-28(27-22)13-10-24)16-8-11-25-12-9-16/h1-9,11-12,14H,10,13,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50419430 (CHEMBL1915738) Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2ccc(Br)cn2)cc1)-c1ccncc1 Show InChI InChI=1S/C22H18BrFN4O/c23-18-3-4-19(26-13-18)15-29-20-5-1-17(2-6-20)22-21(14-28(27-22)12-9-24)16-7-10-25-11-8-16/h1-8,10-11,13-14H,9,12,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50401388 (CHEMBL2206442) Show SMILES COc1cccc(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl Show InChI InChI=1S/C22H24ClFN4O/c1-29-18-4-2-3-16(24)20(18)15-7-10-27(11-8-15)17-9-12-28-19(13-14-5-6-14)25-26-22(28)21(17)23/h2-4,9,12,14-15H,5-8,10-11,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.2	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Displacement of [3H]JNJ-40068782 from human mGLuR2 expressed in CHO cell membrane after 60 mins by liquid scintillation counting				J Med Chem 55: 8685-99 (2012) Article DOI: 10.1021/jm300912k BindingDB Entry DOI: 10.7270/Q2FQ9XSS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50401389 (CHEMBL2206441) Show SMILES COc1ccc(F)cc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl Show InChI InChI=1S/C22H24ClFN4O/c1-29-19-5-4-16(24)13-17(19)15-6-9-27(10-7-15)18-8-11-28-20(12-14-2-3-14)25-26-22(28)21(18)23/h4-5,8,11,13-15H,2-3,6-7,9-10,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.2	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Displacement of [3H]JNJ-40068782 from human mGLuR2 expressed in CHO cell membrane after 60 mins by liquid scintillation counting				J Med Chem 55: 8685-99 (2012) Article DOI: 10.1021/jm300912k BindingDB Entry DOI: 10.7270/Q2FQ9XSS
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50419440 (CHEMBL1915734) Show SMILES COc1cccnc1COc1ccc(cc1)-c1nn(CCCF)cc1-c1ccncc1 Show InChI InChI=1S/C24H23FN4O2/c1-30-23-4-2-12-27-22(23)17-31-20-7-5-19(6-8-20)24-21(18-9-13-26-14-10-18)16-29(28-24)15-3-11-25/h2,4-10,12-14,16H,3,11,15,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.6	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50419427 (CHEMBL1915735) Show SMILES COc1ccc(COc2ccc(cc2)-c2nn(CCCF)cc2-c2ccncc2)nc1 Show InChI InChI=1S/C24H23FN4O2/c1-30-22-8-5-20(27-15-22)17-31-21-6-3-19(4-7-21)24-23(18-9-12-26-13-10-18)16-29(28-24)14-2-11-25/h3-10,12-13,15-16H,2,11,14,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50419429 (CHEMBL1915737) Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2ncccc2F)cc1)-c1ccncc1 Show InChI InChI=1S/C22H18F2N4O/c23-9-13-28-14-19(16-7-11-25-12-8-16)22(27-28)17-3-5-18(6-4-17)29-15-21-20(24)2-1-10-26-21/h1-8,10-12,14H,9,13,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50419422 (CHEMBL1915728) Show SMILES Cc1cccc(COc2ccc(cc2)-c2nn(CCCF)cc2-c2ccncc2)n1 Show InChI InChI=1S/C24H23FN4O/c1-18-4-2-5-21(27-18)17-30-22-8-6-20(7-9-22)24-23(19-10-13-26-14-11-19)16-29(28-24)15-3-12-25/h2,4-11,13-14,16H,3,12,15,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.9	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50419433 (CHEMBL1915743) Show SMILES CCOc1cccc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)n1 Show InChI InChI=1S/C24H23FN4O2/c1-2-30-23-5-3-4-20(27-23)17-31-21-8-6-19(7-9-21)24-22(16-29(28-24)15-12-25)18-10-13-26-14-11-18/h3-11,13-14,16H,2,12,15,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.9	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50419432 (CHEMBL1915741) Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2ccc(cn2)C2CC2)cc1)-c1ccncc1 Show InChI InChI=1S/C25H23FN4O/c26-11-14-30-16-24(19-9-12-27-13-10-19)25(29-30)20-4-7-23(8-5-20)31-17-22-6-3-21(15-28-22)18-1-2-18/h3-10,12-13,15-16,18H,1-2,11,14,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.6	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50419434 (CHEMBL1915744) Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2cccc(n2)C#N)cc1)-c1ccncc1 Show InChI InChI=1S/C23H18FN5O/c24-10-13-29-15-22(17-8-11-26-12-9-17)23(28-29)18-4-6-21(7-5-18)30-16-20-3-1-2-19(14-25)27-20/h1-9,11-12,15H,10,13,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.6	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50419435 (CHEMBL1915745) Show SMILES COc1ccc(Br)c(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)n1 Show InChI InChI=1S/C23H20BrFN4O2/c1-30-22-7-6-20(24)21(27-22)15-31-18-4-2-17(3-5-18)23-19(14-29(28-23)13-10-25)16-8-11-26-12-9-16/h2-9,11-12,14H,10,13,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.6	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50419438 (CHEMBL1915732) Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2cccc(n2)C2CC2)cc1)-c1ccncc1 Show InChI InChI=1S/C25H23FN4O/c26-12-15-30-16-23(18-10-13-27-14-11-18)25(29-30)20-6-8-22(9-7-20)31-17-21-2-1-3-24(28-21)19-4-5-19/h1-3,6-11,13-14,16,19H,4-5,12,15,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.6	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50419431 (CHEMBL1915739) Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2ccc(cn2)C#N)cc1)-c1ccncc1 Show InChI InChI=1S/C23H18FN5O/c24-9-12-29-15-22(18-7-10-26-11-8-18)23(28-29)19-2-5-21(6-3-19)30-16-20-4-1-17(13-25)14-27-20/h1-8,10-11,14-15H,9,12,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79.4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50419425 (CHEMBL1915731) Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2cccc(n2)C(F)(F)F)cc1)-c1ccncc1 Show InChI InChI=1S/C23H18F4N4O/c24-10-13-31-14-20(16-8-11-28-12-9-16)22(30-31)17-4-6-19(7-5-17)32-15-18-2-1-3-21(29-18)23(25,26)27/h1-9,11-12,14H,10,13,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50419441 (CHEMBL1915740) Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2ccc(cn2)C(F)(F)F)cc1)-c1ccncc1 Show InChI InChI=1S/C23H18F4N4O/c24-9-12-31-14-21(16-7-10-28-11-8-16)22(30-31)17-1-5-20(6-2-17)32-15-19-4-3-18(13-29-19)23(25,26)27/h1-8,10-11,13-14H,9,12,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50357702 (CHEMBL1915726) Show SMILES COc1ccc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)nc1 Show InChI InChI=1S/C23H21FN4O2/c1-29-21-7-4-19(26-14-21)16-30-20-5-2-18(3-6-20)23-22(15-28(27-23)13-10-24)17-8-11-25-12-9-17/h2-9,11-12,14-15H,10,13,16H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of human DAT				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50357701 (CHEMBL1915725 | US9138494, Janssen B-3) Show SMILES Cc1cnc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)c(C)c1 Show InChI InChI=1S/C24H23FN4O/c1-17-13-18(2)23(27-14-17)16-30-21-5-3-20(4-6-21)24-22(15-29(28-24)12-9-25)19-7-10-26-11-8-19/h3-8,10-11,13-15H,9,12,16H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of human DAT				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					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)
Transcriptional activator protein LuxR (Vibrio fischeri)	BDBM50389271 (CHEMBL2063568) Show SMILES CCCCCCCCc1cn(nn1)C1CCOC1=O Show InChI InChI=1S/C14H23N3O2/c1-2-3-4-5-6-7-8-12-11-17(16-15-12)13-9-10-19-14(13)18/h11,13H,2-10H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.08E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Antagonist activity at Vibrio fischeri LuxR-mediated quorum sensing expressed in Escherichia coli JB523 assessed as inhibition of C6-HSL-induced GFP ...				Bioorg Med Chem 20: 4737-43 (2012) Article DOI: 10.1016/j.bmc.2012.06.009 BindingDB Entry DOI: 10.7270/Q2P84D02
					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
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 (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, 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, 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...)	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, 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

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