Compile Data Set for Download or QSAR

Found 65 hits of ki data for polymerid = 50005991,50005991,9048   

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
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21995 (5-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl}-3...) Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C23H24F3N3O5S/c1-12(2)9-28-21-18(19(31)27(3)22(28)33)17(20(32)29-10-14(30)11-34-29)16(35-21)8-13-6-4-5-7-15(13)23(24,25)26/h4-7,12,14,30H,8-11H2,1-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.0900	-56.8	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22000 (7-[(3-hydroxypropyl)sulfanyl]-2-methyl-4-(2-methyl...) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cccc4ccccc34)cc12 Show InChI InChI=1S/C25H29N3O2S/c1-17(2)14-22-21-16-28(15-19-10-6-9-18-8-4-5-11-20(18)19)25(31-13-7-12-29)23(21)24(30)27(3)26-22/h4-6,8-11,16-17,29H,7,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PubMed	0.0955	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-...				Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22000 (7-[(3-hydroxypropyl)sulfanyl]-2-methyl-4-(2-methyl...) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cccc4ccccc34)cc12 Show InChI InChI=1S/C25H29N3O2S/c1-17(2)14-22-21-16-28(15-19-10-6-9-18-8-4-5-11-20(18)19)25(31-13-7-12-29)23(21)24(30)27(3)26-22/h4-6,8-11,16-17,29H,7,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	-56.5	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22001 (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) Show SMILES CC(C)Cn1c2sc(Cc3cccc4ccccc34)c(SCCCO)c2c(=O)n(C)c1=O Show InChI InChI=1S/C25H28N2O3S2/c1-16(2)15-27-24-21(23(29)26(3)25(27)30)22(31-13-7-12-28)20(32-24)14-18-10-6-9-17-8-4-5-11-19(17)18/h4-6,8-11,16,28H,7,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	0.275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-...				Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22001 (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) Show SMILES CC(C)Cn1c2sc(Cc3cccc4ccccc34)c(SCCCO)c2c(=O)n(C)c1=O Show InChI InChI=1S/C25H28N2O3S2/c1-16(2)15-27-24-21(23(29)26(3)25(27)30)22(31-13-7-12-28)20(32-24)14-18-10-6-9-17-8-4-5-11-19(17)18/h4-6,8-11,16,28H,7,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	0.280	-54.0	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22009 (5-{[(1R,3R)-3-hydroxycyclopentyl]sulfanyl}-3-methy...) Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(S[C@@H]3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C24H27F3N2O3S2/c1-13(2)12-29-22-19(21(31)28(3)23(29)32)20(33-16-9-8-15(30)11-16)18(34-22)10-14-6-4-5-7-17(14)24(25,26)27/h4-7,13,15-16,30H,8-12H2,1-3H3/t15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.290	-53.9	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22001 (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) Show SMILES CC(C)Cn1c2sc(Cc3cccc4ccccc34)c(SCCCO)c2c(=O)n(C)c1=O Show InChI InChI=1S/C25H28N2O3S2/c1-16(2)15-27-24-21(23(29)26(3)25(27)30)22(31-13-7-12-28)20(32-24)14-18-10-6-9-17-8-4-5-11-19(17)18/h4-6,8-11,16,28H,7,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	0.302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-...				Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21992 (5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-3-meth...) Show SMILES CC(C)Cn1c2sc(Oc3cccc4ccccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C26H27N3O5S/c1-15(2)13-29-24-20(22(31)27(3)26(29)33)21(23(32)28-12-11-17(30)14-28)25(35-24)34-19-10-6-8-16-7-4-5-9-18(16)19/h4-10,15,17,30H,11-14H2,1-3H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.310	-53.7	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21986 (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) Show SMILES CC(C)Cn1c2cn(Cc3cccc4ccccc34)c(SCCCO)c2c(=O)n(C)c1=O Show InChI InChI=1S/C25H29N3O3S/c1-17(2)14-28-21-16-27(15-19-10-6-9-18-8-4-5-11-20(18)19)24(32-13-7-12-29)22(21)23(30)26(3)25(28)31/h4-6,8-11,16-17,29H,7,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.330	-53.6	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21986 (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) Show SMILES CC(C)Cn1c2cn(Cc3cccc4ccccc34)c(SCCCO)c2c(=O)n(C)c1=O Show InChI InChI=1S/C25H29N3O3S/c1-17(2)14-28-21-16-27(15-19-10-6-9-18-8-4-5-11-20(18)19)24(32-13-7-12-29)22(21)23(30)26(3)25(28)31/h4-6,8-11,16-17,29H,7,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-...				Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21986 (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) Show SMILES CC(C)Cn1c2cn(Cc3cccc4ccccc34)c(SCCCO)c2c(=O)n(C)c1=O Show InChI InChI=1S/C25H29N3O3S/c1-17(2)14-28-21-16-27(15-19-10-6-9-18-8-4-5-11-20(18)19)24(32-13-7-12-29)22(21)23(30)26(3)25(28)31/h4-6,8-11,16-17,29H,7,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-...				Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22002 (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(SCCCO)c2c(=O)n(C)c1=O Show InChI InChI=1S/C22H25F3N2O3S2/c1-13(2)12-27-20-17(19(29)26(3)21(27)30)18(31-10-6-9-28)16(32-20)11-14-7-4-5-8-15(14)22(23,24)25/h4-5,7-8,13,28H,6,9-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.350	-53.4	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22002 (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(SCCCO)c2c(=O)n(C)c1=O Show InChI InChI=1S/C22H25F3N2O3S2/c1-13(2)12-27-20-17(19(29)26(3)21(27)30)18(31-10-6-9-28)16(32-20)11-14-7-4-5-8-15(14)22(23,24)25/h4-5,7-8,13,28H,6,9-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.355	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-...				Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22002 (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(SCCCO)c2c(=O)n(C)c1=O Show InChI InChI=1S/C22H25F3N2O3S2/c1-13(2)12-27-20-17(19(29)26(3)21(27)30)18(31-10-6-9-28)16(32-20)11-14-7-4-5-8-15(14)22(23,24)25/h4-5,7-8,13,28H,6,9-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.355	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-...				Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22010 (5-{[(1R,3S)-3-hydroxycyclopentyl]sulfanyl}-3-methy...) Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(S[C@@H]3CC[C@H](O)C3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C24H27F3N2O3S2/c1-13(2)12-29-22-19(21(31)28(3)23(29)32)20(33-16-9-8-15(30)11-16)18(34-22)10-14-6-4-5-7-17(14)24(25,26)27/h4-7,13,15-16,30H,8-12H2,1-3H3/t15-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.420	-53.0	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21996 (5-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl}-3...) Show SMILES CC(C)Cn1c2sc(Cc3c[nH]c4ncccc34)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C23H25N5O5S/c1-12(2)9-27-22-18(20(30)26(3)23(27)32)17(21(31)28-10-14(29)11-33-28)16(34-22)7-13-8-25-19-15(13)5-4-6-24-19/h4-6,8,12,14,29H,7,9-11H2,1-3H3,(H,24,25)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.430	-52.9	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21994 (5-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl}-3...) Show SMILES CC(C)Cn1c2sc(Cc3ccnc4ccccc34)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C25H26N4O5S/c1-14(2)11-28-24-21(22(31)27(3)25(28)33)20(23(32)29-12-16(30)13-34-29)19(35-24)10-15-8-9-26-18-7-5-4-6-17(15)18/h4-9,14,16,30H,10-13H2,1-3H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.520	-52.5	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22011 (5-{[(1S,3R,4S)-3,4-dihydroxycyclopentyl]sulfanyl}-...) Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(S[C@H]3C[C@H](O)[C@H](O)C3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C24H27F3N2O4S2/c1-12(2)11-29-22-19(21(32)28(3)23(29)33)20(34-14-9-16(30)17(31)10-14)18(35-22)8-13-6-4-5-7-15(13)24(25,26)27/h4-7,12,14,16-17,30-31H,8-11H2,1-3H3/t14-,16-,17+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.680	-51.8	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22000 (7-[(3-hydroxypropyl)sulfanyl]-2-methyl-4-(2-methyl...) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cccc4ccccc34)cc12 Show InChI InChI=1S/C25H29N3O2S/c1-17(2)14-22-21-16-28(15-19-10-6-9-18-8-4-5-11-20(18)19)25(31-13-7-12-29)23(21)24(30)27(3)26-22/h4-6,8-11,16-17,29H,7,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PubMed	0.708	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-...				Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22025 (5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-6-(1H-...) Show SMILES CC(C)Cn1c2sc(Cc3c[nH]c4ccccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C25H28N4O4S/c1-14(2)12-29-24-21(22(31)27(3)25(29)33)20(23(32)28-9-8-16(30)13-28)19(34-24)10-15-11-26-18-7-5-4-6-17(15)18/h4-7,11,14,16,26,30H,8-10,12-13H2,1-3H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.790	-51.4	n/a	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21987 (6-[(6-fluoroquinolin-4-yl)methyl]-5-{[(3R)-3-hydro...) Show SMILES CC(C)Cn1c2sc(Cc3ccnc4ccc(F)cc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C26H27FN4O4S/c1-14(2)12-31-25-22(23(33)29(3)26(31)35)21(24(34)30-9-7-17(32)13-30)20(36-25)10-15-6-8-28-19-5-4-16(27)11-18(15)19/h4-6,8,11,14,17,32H,7,9-10,12-13H2,1-3H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.810	-51.4	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22014 (5-{[(3R)-3-hydroxypyrrolidine-1-]sulfonyl}-3-methy...) Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(c2c(=O)n(C)c1=O)S(=O)(=O)N1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C23H26F3N3O5S2/c1-13(2)11-29-21-18(20(31)27(3)22(29)32)19(36(33,34)28-9-8-15(30)12-28)17(35-21)10-14-6-4-5-7-16(14)23(24,25)26/h4-7,13,15,30H,8-12H2,1-3H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10	-50.6	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21986 (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) Show SMILES CC(C)Cn1c2cn(Cc3cccc4ccccc34)c(SCCCO)c2c(=O)n(C)c1=O Show InChI InChI=1S/C25H29N3O3S/c1-17(2)14-28-21-16-27(15-19-10-6-9-18-8-4-5-11-20(18)19)24(32-13-7-12-29)22(21)23(30)26(3)25(28)31/h4-6,8-11,16-17,29H,7,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-...				Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21998 (6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-{[(4S)-...) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C21H27N5O5S/c1-10(2)7-25-20-17(18(28)24(5)21(25)30)16(19(29)26-8-13(27)9-31-26)15(32-20)6-14-11(3)22-23-12(14)4/h10,13,27H,6-9H2,1-5H3,(H,22,23)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	-50.4	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21997 (5-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl}-3...) Show SMILES CNc1nc2ccccc2n1Cc1sc2n(CC(C)C)c(=O)n(C)c(=O)c2c1C(=O)N1C[C@H](O)CO1 |r| Show InChI InChI=1S/C24H28N6O5S/c1-13(2)9-29-22-19(20(32)27(4)24(29)34)18(21(33)30-10-14(31)12-35-30)17(36-22)11-28-16-8-6-5-7-15(16)26-23(28)25-3/h5-8,13-14,31H,9-12H2,1-4H3,(H,25,26)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	-49.6	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22004 (3-methyl-1-(2-methylpropyl)-5-(propan-2-ylsulfanyl...) Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(SC(C)C)c2c(=O)n(C)c1=O Show InChI InChI=1S/C22H25F3N2O2S2/c1-12(2)11-27-20-17(19(28)26(5)21(27)29)18(30-13(3)4)16(31-20)10-14-8-6-7-9-15(14)22(23,24)25/h6-9,12-13H,10-11H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.20	-48.9	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM50606662 (CHEMBL5221129) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(C(=O)N3C[C@@H](O)CO3)c2c(=O)n(C)c1=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113806 BindingDB Entry DOI: 10.7270/Q2M61QBT
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22008 (5-{[(1R,2R)-2-hydroxycyclopentyl]sulfanyl}-3-methy...) Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(S[C@@H]3CCC[C@H]3O)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C24H27F3N2O3S2/c1-13(2)12-29-22-19(21(31)28(3)23(29)32)20(33-17-10-6-9-16(17)30)18(34-22)11-14-7-4-5-8-15(14)24(25,26)27/h4-5,7-8,13,16-17,30H,6,9-12H2,1-3H3/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70	-48.4	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22006 (5-(cyclopentylsulfanyl)-3-methyl-1-(2-methylpropyl...) Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(SC3CCCC3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C24H27F3N2O2S2/c1-14(2)13-29-22-19(21(30)28(3)23(29)31)20(32-16-9-5-6-10-16)18(33-22)12-15-8-4-7-11-17(15)24(25,26)27/h4,7-8,11,14,16H,5-6,9-10,12-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.20	-48.0	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22025 (5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-6-(1H-...) Show SMILES CC(C)Cn1c2sc(Cc3c[nH]c4ccccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C25H28N4O4S/c1-14(2)12-29-24-21(22(31)27(3)25(29)33)20(23(32)28-9-8-16(30)13-28)19(34-24)10-15-11-26-18-7-5-4-6-17(15)18/h4-7,11,14,16,26,30H,8-10,12-13H2,1-3H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-...				Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21993 (6-[(4,5-dichloro-2-methyl-1H-imidazol-1-yl)methyl]...) Show SMILES CON(C)C(=O)c1c(Cn2c(C)nc(Cl)c2Cl)sc2n(CC(C)C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C19H23Cl2N5O4S/c1-9(2)7-26-18-13(16(27)23(4)19(26)29)12(17(28)24(5)30-6)11(31-18)8-25-10(3)22-14(20)15(25)21/h9H,7-8H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.20	-48.0	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50416571 (CHEMBL1221551) Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3CC=CC3)c2c(=O)n(C)c1=O |c:25| Show InChI InChI=1S/C24H24F3N3O3S/c1-14(2)13-30-22-19(20(31)28(3)23(30)33)18(21(32)29-10-6-7-11-29)17(34-22)12-15-8-4-5-9-16(15)24(25,26)27/h4-9,14H,10-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-...				Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50416571 (CHEMBL1221551) Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3CC=CC3)c2c(=O)n(C)c1=O |c:25| Show InChI InChI=1S/C24H24F3N3O3S/c1-14(2)13-30-22-19(20(31)28(3)23(30)33)18(21(32)29-10-6-7-11-29)17(34-22)12-15-8-4-5-9-16(15)24(25,26)27/h4-9,14H,10-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-...				Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22020 (5-[(3-hydroxy-3-methylazetidin-1-yl)carbonyl]-3-me...) Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3CC(C)(O)C3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C24H26F3N3O4S/c1-13(2)10-30-21-18(19(31)28(4)22(30)33)17(20(32)29-11-23(3,34)12-29)16(35-21)9-14-7-5-6-8-15(14)24(25,26)27/h5-8,13,34H,9-12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.5	-47.8	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22024 (5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-6-(iso...) Show SMILES CC(C)Cn1c2sc(Cc3cncc4ccccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C26H28N4O4S/c1-15(2)13-30-25-22(23(32)28(3)26(30)34)21(24(33)29-9-8-18(31)14-29)20(35-25)10-17-12-27-11-16-6-4-5-7-19(16)17/h4-7,11-12,15,18,31H,8-10,13-14H2,1-3H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.90	-47.5	n/a	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22026 (5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-3-meth...) Show SMILES CC(C)Cn1c2sc(Cc3c[nH]c4ncccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C24H27N5O4S/c1-13(2)11-29-23-19(21(31)27(3)24(29)33)18(22(32)28-8-6-15(30)12-28)17(34-23)9-14-10-26-20-16(14)5-4-7-25-20/h4-5,7,10,13,15,30H,6,8-9,11-12H2,1-3H3,(H,25,26)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.70	-47.1	n/a	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21985 (5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-3-meth...) Show SMILES CC(C)Cn1c2sc(Cc3ccnc4ccccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C26H28N4O4S/c1-15(2)13-30-25-22(23(32)28(3)26(30)34)21(24(33)29-11-9-17(31)14-29)20(35-25)12-16-8-10-27-19-7-5-4-6-18(16)19/h4-8,10,15,17,31H,9,11-14H2,1-3H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	4.80	-47.0	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21985 (5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-3-meth...) Show SMILES CC(C)Cn1c2sc(Cc3ccnc4ccccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C26H28N4O4S/c1-15(2)13-30-25-22(23(32)28(3)26(30)34)21(24(33)29-11-9-17(31)14-29)20(35-25)12-16-8-10-27-19-7-5-4-6-18(16)19/h4-8,10,15,17,31H,9,11-14H2,1-3H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	4.80	-47.0	n/a	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22015 (5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-3-meth...) Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C24H26F3N3O4S/c1-13(2)11-30-22-19(20(32)28(3)23(30)34)18(21(33)29-9-8-15(31)12-29)17(35-22)10-14-6-4-5-7-16(14)24(25,26)27/h4-7,13,15,31H,8-12H2,1-3H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.90	-47.0	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22023 (5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-3-meth...) Show SMILES CC(C)Cn1c2sc(Cc3cccc4ncccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C26H28N4O4S/c1-15(2)13-30-25-22(23(32)28(3)26(30)34)21(24(33)29-11-9-17(31)14-29)20(35-25)12-16-6-4-8-19-18(16)7-5-10-27-19/h4-8,10,15,17,31H,9,11-14H2,1-3H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.30	-46.8	n/a	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22017 (3-methyl-1-(2-methylpropyl)-5-(pyrrolidin-1-ylcarb...) Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3CCCC3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C24H26F3N3O3S/c1-14(2)13-30-22-19(20(31)28(3)23(30)33)18(21(32)29-10-6-7-11-29)17(34-22)12-15-8-4-5-9-16(15)24(25,26)27/h4-5,8-9,14H,6-7,10-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-...				Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22017 (3-methyl-1-(2-methylpropyl)-5-(pyrrolidin-1-ylcarb...) Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3CCCC3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C24H26F3N3O3S/c1-14(2)13-30-22-19(20(31)28(3)23(30)33)18(21(32)29-10-6-7-11-29)17(34-22)12-15-8-4-5-9-16(15)24(25,26)27/h4-5,8-9,14H,6-7,10-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.5	-46.7	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22017 (3-methyl-1-(2-methylpropyl)-5-(pyrrolidin-1-ylcarb...) Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3CCCC3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C24H26F3N3O3S/c1-14(2)13-30-22-19(20(31)28(3)23(30)33)18(21(32)29-10-6-7-11-29)17(34-22)12-15-8-4-5-9-16(15)24(25,26)27/h4-5,8-9,14H,6-7,10-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-...				Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22003 (5-(ethylsulfanyl)-3-methyl-1-(2-methylpropyl)-6-{[...) Show SMILES CCSc1c(Cc2ccccc2C(F)(F)F)sc2n(CC(C)C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C21H23F3N2O2S2/c1-5-29-17-15(10-13-8-6-7-9-14(13)21(22,23)24)30-19-16(17)18(27)25(4)20(28)26(19)11-12(2)3/h6-9,12H,5,10-11H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	-46.5	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22007 (5-(cyclohexylsulfanyl)-3-methyl-1-(2-methylpropyl)...) Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(SC3CCCCC3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C25H29F3N2O2S2/c1-15(2)14-30-23-20(22(31)29(3)24(30)32)21(33-17-10-5-4-6-11-17)19(34-23)13-16-9-7-8-12-18(16)25(26,27)28/h7-9,12,15,17H,4-6,10-11,13-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	-46.5	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22025 (5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-6-(1H-...) Show SMILES CC(C)Cn1c2sc(Cc3c[nH]c4ccccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C25H28N4O4S/c1-14(2)12-29-24-21(22(31)27(3)25(29)33)20(23(32)28-9-8-16(30)13-28)19(34-24)10-15-11-26-18-7-5-4-6-17(15)18/h4-7,11,14,16,26,30H,8-10,12-13H2,1-3H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-...				Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22012 (5-[(2,3-dihydroxypropyl)sulfanyl]-3-methyl-1-(2-me...) Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(SCC(O)CO)c2c(=O)n(C)c1=O Show InChI InChI=1S/C22H25F3N2O4S2/c1-12(2)9-27-20-17(19(30)26(3)21(27)31)18(32-11-14(29)10-28)16(33-20)8-13-6-4-5-7-15(13)22(23,24)25/h4-7,12,14,28-29H,8-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.5	-46.3	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22027 (5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-3-meth...) Show SMILES CNc1nc2ccccc2n1Cc1sc2n(CC(C)C)c(=O)n(C)c(=O)c2c1C(=O)N1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C25H30N6O4S/c1-14(2)11-31-23-20(21(33)28(4)25(31)35)19(22(34)29-10-9-15(32)12-29)18(36-23)13-30-17-8-6-5-7-16(17)27-24(30)26-3/h5-8,14-15,32H,9-13H2,1-4H3,(H,26,27)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.60	-46.2	n/a	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22018 (3-methyl-1-(2-methylpropyl)-5-(piperidin-1-ylcarbo...) Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3CCCCC3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C25H28F3N3O3S/c1-15(2)14-31-23-20(21(32)29(3)24(31)34)19(22(33)30-11-7-4-8-12-30)18(35-23)13-16-9-5-6-10-17(16)25(26,27)28/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.70	-45.5	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22016 (5-(azetidin-1-ylcarbonyl)-3-methyl-1-(2-methylprop...) Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3CCC3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C23H24F3N3O3S/c1-13(2)12-29-21-18(19(30)27(3)22(29)32)17(20(31)28-9-6-10-28)16(33-21)11-14-7-4-5-8-15(14)23(24,25)26/h4-5,7-8,13H,6,9-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.20	-45.4	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK
					More data for this Ligand-Target Pair

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