Marvin 2D Structure

Wt: 203.1 BDBM4343Purchase	Wt: 191.1 BDBM4344Purchase	Wt: 216.2 BDBM4345Purchase	Wt: 187.1 BDBM4346Purchase	Wt: 218.1 BDBM4347
Wt: 189.1 BDBM4350Purchase	Wt: 252.0 BDBM50092062Purchase	Wt: 207.6 BDBM50092063Purchase	Wt: 217.1 BDBM50092060Purchase	Wt: 201.2 BDBM50092064
Wt: 242.2 BDBM50092075	Wt: 244.2 BDBM50092059	Wt: 198.1 BDBM50092061Purchase	Wt: 215.2 BDBM50606661	Wt: 233.2 BDBM50608634

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 31 hits in this display   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4350 ((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid ...) Show SMILES OC(=O)C(=C\c1ccc(O)cc1)\C#N Show InChI InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.65E+5	n/a	3.08E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem					Assay Description The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.				J Med Chem 32: 2344-52 (1989) Article DOI: 10.1021/jm00130a020 BindingDB Entry DOI: 10.7270/Q2G44NHF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4343 ((2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid ...) Show SMILES COc1ccc(\C=C(/C#N)C(O)=O)cc1 Show InChI InChI=1S/C11H9NO3/c1-15-10-4-2-8(3-5-10)6-9(7-12)11(13)14/h2-6H,1H3,(H,13,14)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	8.33E+5	n/a	2.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem					Assay Description The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.				J Med Chem 32: 2344-52 (1989) Article DOI: 10.1021/jm00130a020 BindingDB Entry DOI: 10.7270/Q2G44NHF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4344 ((2E)-2-cyano-3-(4-fluorophenyl)prop-2-enoic acid |...) Show SMILES OC(=O)C(=C\c1ccc(F)cc1)\C#N Show InChI InChI=1S/C10H6FNO2/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H,13,14)/b8-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	8.33E+5	n/a	2.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem					Assay Description The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.				J Med Chem 32: 2344-52 (1989) Article DOI: 10.1021/jm00130a020 BindingDB Entry DOI: 10.7270/Q2G44NHF
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM50092075 (CHEMBL3582416 | US9296728, 11) Show SMILES OC(=O)C(=C\c1ccc(cc1)N1CCCC1)\C#N Show InChI InChI=1S/C14H14N2O2/c15-10-12(14(17)18)9-11-3-5-13(6-4-11)16-7-1-2-8-16/h3-6,9H,1-2,7-8H2,(H,17,18)/b12-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	64	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))	BDBM50606661 (CHEMBL5220706) Show SMILES CC(C)c1ccc(\C=C(/C#N)C(O)=O)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	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 (Rattus norvegicus (Rat))	BDBM50092075 (CHEMBL3582416 | US9296728, 11) Show SMILES OC(=O)C(=C\c1ccc(cc1)N1CCCC1)\C#N Show InChI InChI=1S/C14H14N2O2/c15-10-12(14(17)18)9-11-3-5-13(6-4-11)16-7-1-2-8-16/h3-6,9H,1-2,7-8H2,(H,17,18)/b12-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	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))	BDBM50092059 (CHEMBL3582407) Show SMILES CCN(CC)c1ccc(\C=C(/C#N)C(O)=O)cc1 Show InChI InChI=1S/C16H12ClN3O4/c1-8(21)13-5-10-9(3-4-12(23-2)14(10)24-13)16(22)20-15-11(17)6-18-7-19-15/h3-7H,1-2H3,(H,18,19,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	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))	BDBM4345 ((2E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-eno...) Show SMILES CN(C)c1ccc(\C=C(/C#N)C(O)=O)cc1 Show InChI InChI=1S/C12H12N2O2/c1-14(2)11-5-3-9(4-6-11)7-10(8-13)12(15)16/h3-7H,1-2H3,(H,15,16)/b10-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	140	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))	BDBM4350 ((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid ...) Show SMILES OC(=O)C(=C\c1ccc(O)cc1)\C#N Show InChI InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	281	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 (Rattus norvegicus (Rat))	BDBM50092063 (CHEMBL3582403) Show SMILES OC(=O)C(=C\c1ccc(Cl)cc1)\C#N Show InChI InChI=1S/C10H6ClNO2/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H,13,14)/b8-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	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))	BDBM4346 ((2E)-2-cyano-3-(4-methylphenyl)prop-2-enoic acid |...) Show SMILES Cc1ccc(\C=C(/C#N)C(O)=O)cc1 Show InChI InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)6-10(7-12)11(13)14/h2-6H,1H3,(H,13,14)/b10-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	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))	BDBM50092064 (CHEMBL3582402) Show SMILES CCc1ccc(\C=C(/C#N)C(O)=O)cc1 Show InChI InChI=1S/C19H12Cl2N2O4/c1-9(24)16-7-12-11(3-4-15(26-2)18(12)27-16)19(25)23-17-13(20)5-10(8-22)6-14(17)21/h3-7H,1-2H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	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))	BDBM4344 ((2E)-2-cyano-3-(4-fluorophenyl)prop-2-enoic acid |...) Show SMILES OC(=O)C(=C\c1ccc(F)cc1)\C#N Show InChI InChI=1S/C10H6FNO2/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H,13,14)/b8-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	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))	BDBM50092062 (CHEMBL3582404) Show SMILES OC(=O)C(=C\c1ccc(Br)cc1)\C#N Show InChI InChI=1S/C16H9Cl2N3O3/c1-23-13-3-2-9(10-4-8(5-19)24-15(10)13)16(22)21-14-11(17)6-20-7-12(14)18/h2-4,6-7H,1H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	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))	BDBM50092061 (CHEMBL3582405) Show SMILES OC(=O)C(=C\c1ccc(cc1)C#N)\C#N Show InChI InChI=1S/C21H13Cl2N3O4/c1-29-16-3-2-12(21(28)26-18-14(22)9-25-10-15(18)23)13-8-17(30-20(13)16)19(27)11-4-6-24-7-5-11/h2-10H,1H3,(H,25,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	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))	BDBM4347 ((2E)-2-cyano-3-(4-nitrophenyl)prop-2-enoic acid | ...) Show SMILES OC(=O)C(=C\c1ccc(cc1)[N+]([O-])=O)\C#N Show InChI InChI=1S/C10H6N2O4/c11-6-8(10(13)14)5-7-1-3-9(4-2-7)12(15)16/h1-5H,(H,13,14)/b8-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	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))	BDBM4343 ((2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid ...) Show SMILES COc1ccc(\C=C(/C#N)C(O)=O)cc1 Show InChI InChI=1S/C11H9NO3/c1-15-10-4-2-8(3-5-10)6-9(7-12)11(13)14/h2-6H,1H3,(H,13,14)/b9-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	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))	BDBM50092060 (CHEMBL3582406) Show SMILES OC(=O)C(=C\c1ccc2OCOc2c1)\C#N Show InChI InChI=1S/C18H14Cl2N2O4/c1-8-14-10(18(24)22-15-11(19)6-21-7-12(15)20)4-5-13(25-3)17(14)26-16(8)9(2)23/h4-7H,1-3H3,(H,21,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	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))	BDBM50608634 (CHEMBL5280998) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Monocarboxylate transporter 2 (Rattus norvegicus)	BDBM4350 ((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid ...) Show SMILES OC(=O)C(=C\c1ccc(O)cc1)\C#N Show InChI InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Physiologisch-chemisches Institut der Eberhard-Karls-Universit£t T£bingen Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of lactate uptake in Xenopus laevis oocytes				Biochem J 341: 529-35 (1999) BindingDB Entry DOI: 10.7270/Q2125TQV
					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM4350 ((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid ...) Show SMILES OC(=O)C(=C\c1ccc(O)cc1)\C#N Show InChI InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins				ACS Med Chem Lett 3: 165-169 (2012) Article DOI: 10.1021/ml2003058 BindingDB Entry DOI: 10.7270/Q2DB82W9
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM4350 ((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid ...) Show SMILES OC(=O)C(=C\c1ccc(O)cc1)\C#N Show InChI InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM4350 ((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid ...) Show SMILES OC(=O)C(=C\c1ccc(O)cc1)\C#N Show InChI InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4350 ((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid ...) Show SMILES OC(=O)C(=C\c1ccc(O)cc1)\C#N Show InChI InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells				J Nat Prod 55: 1529-1560 (1992) Article DOI: 10.1021/np50089a001 BindingDB Entry DOI: 10.7270/Q2J966CC
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM4350 ((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid ...) Show SMILES OC(=O)C(=C\c1ccc(O)cc1)\C#N Show InChI InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
Physiologisch-chemisches Institut der Eberhard-Karls-Universit£t T£bingen Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of lactate uptake in Xenopus laevis oocytes				Biochem J 341: 529-35 (1999) BindingDB Entry DOI: 10.7270/Q2125TQV
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM4350 ((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid ...) Show SMILES OC(=O)C(=C\c1ccc(O)cc1)\C#N Show InChI InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.91E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of L-Lactate uptake (L-Lactate:30mM) in Xenopus laevis oocytes				J Physiol (Lond) 529: 285-93 (2000) Article DOI: 10.1111/j.1469-7793.2000.00285.x BindingDB Entry DOI: 10.7270/Q2WM1H9H
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4347 ((2E)-2-cyano-3-(4-nitrophenyl)prop-2-enoic acid | ...) Show SMILES OC(=O)C(=C\c1ccc(cc1)[N+]([O-])=O)\C#N Show InChI InChI=1S/C10H6N2O4/c11-6-8(10(13)14)5-7-1-3-9(4-2-7)12(15)16/h1-5H,(H,13,14)/b8-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+6	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem					Assay Description The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.				J Med Chem 32: 2344-52 (1989) Article DOI: 10.1021/jm00130a020 BindingDB Entry DOI: 10.7270/Q2G44NHF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4346 ((2E)-2-cyano-3-(4-methylphenyl)prop-2-enoic acid |...) Show SMILES Cc1ccc(\C=C(/C#N)C(O)=O)cc1 Show InChI InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)6-10(7-12)11(13)14/h2-6H,1H3,(H,13,14)/b10-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+6	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem					Assay Description The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.				J Med Chem 32: 2344-52 (1989) Article DOI: 10.1021/jm00130a020 BindingDB Entry DOI: 10.7270/Q2G44NHF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4345 ((2E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-eno...) Show SMILES CN(C)c1ccc(\C=C(/C#N)C(O)=O)cc1 Show InChI InChI=1S/C12H12N2O2/c1-14(2)11-5-3-9(4-6-11)7-10(8-13)12(15)16/h3-7H,1-2H3,(H,15,16)/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.40E+6	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem					Assay Description The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.				J Med Chem 32: 2344-52 (1989) Article DOI: 10.1021/jm00130a020 BindingDB Entry DOI: 10.7270/Q2G44NHF
					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM4350 ((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid ...) Show SMILES OC(=O)C(=C\c1ccc(O)cc1)\C#N Show InChI InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.07E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at GPR35 receptor in human U2OS cells coexpressing Gal4-VP16-TEV assessed as beta arrestin translocation after 5 hrs by beta lactmas...				ACS Med Chem Lett 3: 165-169 (2012) Article DOI: 10.1021/ml2003058 BindingDB Entry DOI: 10.7270/Q2DB82W9
					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM4350 ((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid ...) Show SMILES OC(=O)C(=C\c1ccc(O)cc1)\C#N Show InChI InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at GPR35 receptor in human HT-29 cells after 10 mins by dynamic mass redistribution assay				ACS Med Chem Lett 3: 165-169 (2012) Article DOI: 10.1021/ml2003058 BindingDB Entry DOI: 10.7270/Q2DB82W9
					More data for this Ligand-Target Pair