Compile Data Set for Download or QSAR

Found 123 hits with Last Name = 'jonnalagadda' and Initial = 'sk'   

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
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50570964 (CHEMBL4857782) Show SMILES CCc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(c1)C(=O)NC(C)C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human His-tagged PERK expressed in Escherichia coli assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50570959 (CHEMBL4870780) Show SMILES CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cccc(C)c2)cc1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human His-tagged PERK expressed in Escherichia coli assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50570956 (CHEMBL4869882) Show SMILES Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(c1)C(=O)NC1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human His-tagged PERK expressed in Escherichia coli assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50570958 (CHEMBL4853221) Show SMILES CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cccc(Cl)c2)cc1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human His-tagged PERK expressed in Escherichia coli assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50570941 (CHEMBL4862478) Show SMILES CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human His-tagged PERK expressed in Escherichia coli assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50570955 (CHEMBL4863698) Show SMILES CCNC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human His-tagged PERK expressed in Escherichia coli assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50570966 (CHEMBL4861671) Show SMILES CC(C)NC(=O)c1nc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human His-tagged PERK expressed in Escherichia coli assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50570960 (CHEMBL4858308) Show SMILES CCc1cccc(c1)[C@@H](O)C(=O)Nc1ccc(c(C)c1)-c1cnc(N)c(c1)C(=O)NC(C)C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human His-tagged PERK expressed in Escherichia coli assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM50092072 (CHEMBL3582419 | US9296728, 14) Show SMILES CCCCN(CCCC)c1ccc(\C=C(/C#N)C(O)=O)c(OC)c1 Show InChI InChI=1S/C18H16N2O4/c1-10-5-4-8-19-17(10)20-18(22)12-6-7-14(23-3)16-13(12)9-15(24-16)11(2)21/h4-9H,1-3H3,(H,19,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	7.60	n/a	n/a	n/a	n/a	7.43	37
Regents of the University of Minnesota US Patent					Assay Description The entire lactate uptake studies for the inhibition of MCT1 were carried out on RBE4 (Rat Brain Endothelial 4) cells. The expression of MCT1 on thes...				US Patent US9296728 (2016) BindingDB Entry DOI: 10.7270/Q2KH0M5R
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM50092069 (CHEMBL3582422 | US9296728, 20) Show SMILES COc1cc(ccc1\C=C(/C#N)C(O)=O)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C17H13ClN2O4/c1-9(21)15-7-11-10(3-4-14(23-2)16(11)24-15)17(22)20-13-5-6-19-8-12(13)18/h3-8H,1-2H3,(H,19,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	7.43	37
Regents of the University of Minnesota US Patent					Assay Description The entire lactate uptake studies for the inhibition of MCT1 were carried out on RBE4 (Rat Brain Endothelial 4) cells. The expression of MCT1 on thes...				US Patent US9296728 (2016) BindingDB Entry DOI: 10.7270/Q2KH0M5R
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM50092069 (CHEMBL3582422 | US9296728, 20) Show SMILES COc1cc(ccc1\C=C(/C#N)C(O)=O)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C17H13ClN2O4/c1-9(21)15-7-11-10(3-4-14(23-2)16(11)24-15)17(22)20-13-5-6-19-8-12(13)18/h3-8H,1-2H3,(H,19,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Medical School Duluth Curated by ChEMBL					Assay Description Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay				ACS Med Chem Lett 6: 558-61 (2015) Article DOI: 10.1021/acsmedchemlett.5b00049 BindingDB Entry DOI: 10.7270/Q2ZC84MV
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50570972 (CHEMBL4848359) Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human His-tagged PERK expressed in Escherichia coli assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM50092072 (CHEMBL3582419 | US9296728, 14) Show SMILES CCCCN(CCCC)c1ccc(\C=C(/C#N)C(O)=O)c(OC)c1 Show InChI InChI=1S/C18H16N2O4/c1-10-5-4-8-19-17(10)20-18(22)12-6-7-14(23-3)16-13(12)9-15(24-16)11(2)21/h4-9H,1-3H3,(H,19,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Medical School Duluth Curated by ChEMBL					Assay Description Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay				ACS Med Chem Lett 6: 558-61 (2015) Article DOI: 10.1021/acsmedchemlett.5b00049 BindingDB Entry DOI: 10.7270/Q2ZC84MV
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50570943 (CHEMBL4870495) Show SMILES CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2ccccc2)cc1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human His-tagged PERK expressed in Escherichia coli assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50570963 (CHEMBL4848143) Show SMILES CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1Cl |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human His-tagged PERK expressed in Escherichia coli assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2 subunit 1 (Homo sapiens)	BDBM50570964 (CHEMBL4857782) Show SMILES CCc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(c1)C(=O)NC(C)C |r| Show InChI	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of eIF2alpha (unknown origin) assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM50092073 (CHEMBL3582418 | US9296728, 13) Show SMILES CCCN(CCC)c1ccc(\C=C(/C#N)C(O)=O)c(OC)c1 Show InChI InChI=1S/C17H13ClN2O4/c1-9(21)14-8-11-10(5-6-13(23-2)15(11)24-14)17(22)20-12-4-3-7-19-16(12)18/h3-8H,1-2H3,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.5	n/a	n/a	n/a	n/a	7.43	37
Regents of the University of Minnesota US Patent					Assay Description The entire lactate uptake studies for the inhibition of MCT1 were carried out on RBE4 (Rat Brain Endothelial 4) cells. The expression of MCT1 on thes...				US Patent US9296728 (2016) BindingDB Entry DOI: 10.7270/Q2KH0M5R
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM50092058 (CHEMBL3582408) Show SMILES CCCN(CCC)c1ccc(\C=C(/C#N)C(O)=O)cc1 Show InChI InChI=1S/C17H12Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-7H,1-2H3,(H,20,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Medical School Duluth Curated by ChEMBL					Assay Description Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay				ACS Med Chem Lett 6: 558-61 (2015) Article DOI: 10.1021/acsmedchemlett.5b00049 BindingDB Entry DOI: 10.7270/Q2ZC84MV
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM50092071 (CHEMBL3582420 | US9296728, 18) Show SMILES COc1cc(ccc1\C=C(/C#N)C(O)=O)N(CC(C)C)CC(C)C Show InChI InChI=1S/C16H10Cl2N2O5/c1-24-11-3-2-7(8-4-12(16(22)23)25-14(8)11)15(21)20-13-9(17)5-19-6-10(13)18/h2-6H,1H3,(H,22,23)(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Medical School Duluth Curated by ChEMBL					Assay Description Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay				ACS Med Chem Lett 6: 558-61 (2015) Article DOI: 10.1021/acsmedchemlett.5b00049 BindingDB Entry DOI: 10.7270/Q2ZC84MV
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM50092068 (CHEMBL3582423) Show SMILES [Na+].COc1cc(ccc1\C=C(/C#N)C([O-])=O)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C17H14N2O4/c1-10(20)15-9-13-12(3-4-14(22-2)16(13)23-15)17(21)19-11-5-7-18-8-6-11/h3-9H,1-2H3,(H,18,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Medical School Duluth Curated by ChEMBL					Assay Description Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay				ACS Med Chem Lett 6: 558-61 (2015) Article DOI: 10.1021/acsmedchemlett.5b00049 BindingDB Entry DOI: 10.7270/Q2ZC84MV
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM50092073 (CHEMBL3582418 | US9296728, 13) Show SMILES CCCN(CCC)c1ccc(\C=C(/C#N)C(O)=O)c(OC)c1 Show InChI InChI=1S/C17H13ClN2O4/c1-9(21)14-8-11-10(5-6-13(23-2)15(11)24-14)17(22)20-12-4-3-7-19-16(12)18/h3-8H,1-2H3,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Medical School Duluth Curated by ChEMBL					Assay Description Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay				ACS Med Chem Lett 6: 558-61 (2015) Article DOI: 10.1021/acsmedchemlett.5b00049 BindingDB Entry DOI: 10.7270/Q2ZC84MV
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50570953 (CHEMBL4875875) Show SMILES CNC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human His-tagged PERK expressed in Escherichia coli assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM50092071 (CHEMBL3582420 | US9296728, 18) Show SMILES COc1cc(ccc1\C=C(/C#N)C(O)=O)N(CC(C)C)CC(C)C Show InChI InChI=1S/C16H10Cl2N2O5/c1-24-11-3-2-7(8-4-12(16(22)23)25-14(8)11)15(21)20-13-9(17)5-19-6-10(13)18/h2-6H,1H3,(H,22,23)(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.43	37
Regents of the University of Minnesota US Patent					Assay Description The entire lactate uptake studies for the inhibition of MCT1 were carried out on RBE4 (Rat Brain Endothelial 4) cells. The expression of MCT1 on thes...				US Patent US9296728 (2016) BindingDB Entry DOI: 10.7270/Q2KH0M5R
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50570962 (CHEMBL4851480) Show SMILES CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human His-tagged PERK expressed in Escherichia coli assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2 subunit 1 (Homo sapiens)	BDBM50570960 (CHEMBL4858308) Show SMILES CCc1cccc(c1)[C@@H](O)C(=O)Nc1ccc(c(C)c1)-c1cnc(N)c(c1)C(=O)NC(C)C |r| Show InChI	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of eIF2alpha (unknown origin) assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50570952 (CHEMBL4870100) Show SMILES CC(C)OC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human His-tagged PERK expressed in Escherichia coli assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM214697 (US9296728, 19) Show SMILES COc1cc(ccc1\C=C(/C#N)C(O)=O)N(Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C25H22N2O3/c1-30-24-15-23(13-12-21(24)14-22(16-26)25(28)29)27(17-19-8-4-2-5-9-19)18-20-10-6-3-7-11-20/h2-15H,17-18H2,1H3,(H,28,29)/b22-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	7.43	37
Regents of the University of Minnesota US Patent					Assay Description The entire lactate uptake studies for the inhibition of MCT1 were carried out on RBE4 (Rat Brain Endothelial 4) cells. The expression of MCT1 on thes...				US Patent US9296728 (2016) BindingDB Entry DOI: 10.7270/Q2KH0M5R
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50570961 (CHEMBL4846663) Show SMILES CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human His-tagged PERK expressed in Escherichia coli assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2 subunit 1 (Homo sapiens)	BDBM50570963 (CHEMBL4848143) Show SMILES CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1Cl |r| Show InChI	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of eIF2alpha (unknown origin) assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM50092070 (CHEMBL3582421 | US9296728, 15) Show SMILES CCCCCN(CCCCC)c1ccc(\C=C(/C#N)C(O)=O)c(OC)c1 Show InChI InChI=1S/C18H14Cl2N2O4/c1-9(23)15-6-11-10(4-5-14(25-3)17(11)26-15)18(24)22(2)16-12(19)7-21-8-13(16)20/h4-8H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	7.43	37
Regents of the University of Minnesota US Patent					Assay Description The entire lactate uptake studies for the inhibition of MCT1 were carried out on RBE4 (Rat Brain Endothelial 4) cells. The expression of MCT1 on thes...				US Patent US9296728 (2016) BindingDB Entry DOI: 10.7270/Q2KH0M5R
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM50092065 (CHEMBL3582426) Show SMILES [Na+].COc1cc(ccc1\C=C(/C#N)C([O-])=O)N1CCCCC1 Show InChI InChI=1S/C20H20Cl2N2O3/c1-20(2,3)8-11-7-13-12(5-6-16(26-4)18(13)27-11)19(25)24-17-14(21)9-23-10-15(17)22/h5-7,9-10H,8H2,1-4H3,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Medical School Duluth Curated by ChEMBL					Assay Description Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay				ACS Med Chem Lett 6: 558-61 (2015) Article DOI: 10.1021/acsmedchemlett.5b00049 BindingDB Entry DOI: 10.7270/Q2ZC84MV
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM50092067 (CHEMBL3582424 | US9296728, 16) Show SMILES COc1cc(ccc1\C=C(/C#N)C(O)=O)N(CC=C)CC=C Show InChI InChI=1S/C17H14Cl2N2O3/c1-3-9-6-11-10(4-5-14(23-2)16(11)24-9)17(22)21-15-12(18)7-20-8-13(15)19/h4-8H,3H2,1-2H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	7.43	37
Regents of the University of Minnesota US Patent					Assay Description The entire lactate uptake studies for the inhibition of MCT1 were carried out on RBE4 (Rat Brain Endothelial 4) cells. The expression of MCT1 on thes...				US Patent US9296728 (2016) BindingDB Entry DOI: 10.7270/Q2KH0M5R
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM50092057 (CHEMBL3582409 | US9296728, 4) Show SMILES CCCCN(CCCC)c1ccc(\C=C(/C#N)C(O)=O)cc1 Show InChI InChI=1S/C22H33NO/c1-7-23-21(24)16-18(3)11-8-10-17(2)13-14-20-19(4)12-9-15-22(20,5)6/h8,10-11,13-14,16H,7,9,12,15H2,1-6H3,(H,23,24)/b11-8+,14-13+,17-10+,18-16+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	7.43	37
Regents of the University of Minnesota US Patent					Assay Description The entire lactate uptake studies for the inhibition of MCT1 were carried out on RBE4 (Rat Brain Endothelial 4) cells. The expression of MCT1 on thes...				US Patent US9296728 (2016) BindingDB Entry DOI: 10.7270/Q2KH0M5R
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50570942 (CHEMBL4852735) Show SMILES CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@@H](O)c2cc(F)cc(F)c2)cc1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human His-tagged PERK expressed in Escherichia coli assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50570968 (CHEMBL4854504) Show SMILES CC(C)NC(=O)c1cncc(c1)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human His-tagged PERK expressed in Escherichia coli assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2 subunit 1 (Homo sapiens)	BDBM50570956 (CHEMBL4869882) Show SMILES Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(c1)C(=O)NC1CC1 |r| Show InChI	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of eIF2alpha (unknown origin) assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM50092067 (CHEMBL3582424 | US9296728, 16) Show SMILES COc1cc(ccc1\C=C(/C#N)C(O)=O)N(CC=C)CC=C Show InChI InChI=1S/C17H14Cl2N2O3/c1-3-9-6-11-10(4-5-14(23-2)16(11)24-9)17(22)21-15-12(18)7-20-8-13(15)19/h4-8H,3H2,1-2H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Medical School Duluth Curated by ChEMBL					Assay Description Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay				ACS Med Chem Lett 6: 558-61 (2015) Article DOI: 10.1021/acsmedchemlett.5b00049 BindingDB Entry DOI: 10.7270/Q2ZC84MV
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM50092076 (CHEMBL3582415) Show SMILES OC(=O)C(=C\c1ccc(cc1)N(c1ccccc1)c1ccccc1)\C#N Show InChI InChI=1S/C22H16N2O2/c23-16-18(22(25)26)15-17-11-13-21(14-12-17)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-15H,(H,25,26)/b18-15+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Medical School Duluth Curated by ChEMBL					Assay Description Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay				ACS Med Chem Lett 6: 558-61 (2015) Article DOI: 10.1021/acsmedchemlett.5b00049 BindingDB Entry DOI: 10.7270/Q2ZC84MV
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM50092057 (CHEMBL3582409 | US9296728, 4) Show SMILES CCCCN(CCCC)c1ccc(\C=C(/C#N)C(O)=O)cc1 Show InChI InChI=1S/C22H33NO/c1-7-23-21(24)16-18(3)11-8-10-17(2)13-14-20-19(4)12-9-15-22(20,5)6/h8,10-11,13-14,16H,7,9,12,15H2,1-6H3,(H,23,24)/b11-8+,14-13+,17-10+,18-16+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Medical School Duluth Curated by ChEMBL					Assay Description Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay				ACS Med Chem Lett 6: 558-61 (2015) Article DOI: 10.1021/acsmedchemlett.5b00049 BindingDB Entry DOI: 10.7270/Q2ZC84MV
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2 subunit 1 (Homo sapiens)	BDBM50570941 (CHEMBL4862478) Show SMILES CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1C |r| Show InChI	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of eIF2alpha (unknown origin) assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50570957 (CHEMBL4876496) Show SMILES Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(c1)C(=O)NC(C)(C)C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human His-tagged PERK expressed in Escherichia coli assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM50092070 (CHEMBL3582421 | US9296728, 15) Show SMILES CCCCCN(CCCCC)c1ccc(\C=C(/C#N)C(O)=O)c(OC)c1 Show InChI InChI=1S/C18H14Cl2N2O4/c1-9(23)15-6-11-10(4-5-14(25-3)17(11)26-15)18(24)22(2)16-12(19)7-21-8-13(16)20/h4-8H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Medical School Duluth Curated by ChEMBL					Assay Description Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay				ACS Med Chem Lett 6: 558-61 (2015) Article DOI: 10.1021/acsmedchemlett.5b00049 BindingDB Entry DOI: 10.7270/Q2ZC84MV
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2 subunit 1 (Homo sapiens)	BDBM50570958 (CHEMBL4853221) Show SMILES CC(C)NC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cccc(Cl)c2)cc1C |r| Show InChI	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of eIF2alpha (unknown origin) assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2 subunit 1 (Homo sapiens)	BDBM50570972 (CHEMBL4848359) Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1C |r| Show InChI	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of eIF2alpha (unknown origin) assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2 subunit 1 (Homo sapiens)	BDBM50570966 (CHEMBL4861671) Show SMILES CC(C)NC(=O)c1nc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1C |r| Show InChI	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of eIF2alpha (unknown origin) assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM214695 (US9296728, 10) Show SMILES OC(=O)C(=C\c1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1)\C#N Show InChI InChI=1S/C24H20N2O2/c25-16-22(24(27)28)15-19-11-13-23(14-12-19)26(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-15H,17-18H2,(H,27,28)/b22-15+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	7.43	37
Regents of the University of Minnesota US Patent					Assay Description The entire lactate uptake studies for the inhibition of MCT1 were carried out on RBE4 (Rat Brain Endothelial 4) cells. The expression of MCT1 on thes...				US Patent US9296728 (2016) BindingDB Entry DOI: 10.7270/Q2KH0M5R
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2 subunit 1 (Homo sapiens)	BDBM50570955 (CHEMBL4863698) Show SMILES CCNC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1C |r| Show InChI	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of eIF2alpha (unknown origin) assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM50092066 (CHEMBL3582425) Show SMILES [Na+].COc1cc(ccc1\C=C(/C#N)C([O-])=O)N1CCCC1 Show InChI InChI=1S/C18H14ClNO4/c1-10(21)16-9-12-11(7-8-15(23-2)17(12)24-16)18(22)20-14-6-4-3-5-13(14)19/h3-9H,1-2H3,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Medical School Duluth Curated by ChEMBL					Assay Description Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay				ACS Med Chem Lett 6: 558-61 (2015) Article DOI: 10.1021/acsmedchemlett.5b00049 BindingDB Entry DOI: 10.7270/Q2ZC84MV
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM214702 (US9296728, 25) Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N(Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C24H19NO4/c26-23(27)21-13-19-11-12-20(14-22(19)29-24(21)28)25(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	48	n/a	n/a	n/a	n/a	7.43	37
Regents of the University of Minnesota US Patent					Assay Description The entire lactate uptake studies for the inhibition of MCT1 were carried out on RBE4 (Rat Brain Endothelial 4) cells. The expression of MCT1 on thes...				US Patent US9296728 (2016) BindingDB Entry DOI: 10.7270/Q2KH0M5R
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2 subunit 1 (Homo sapiens)	BDBM50570952 (CHEMBL4870100) Show SMILES CC(C)OC(=O)c1cc(cnc1N)-c1ccc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)cc1C |r| Show InChI	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of eIF2alpha (unknown origin) assessed as eIF2alpha phosphorylation by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128058 BindingDB Entry DOI: 10.7270/Q26W9FWW
					More data for this Ligand-Target Pair

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