Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Proton-coupled folate transporter' and Ligand = 'BDBM50503238'   

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
Proton-coupled folate transporter (Homo sapiens (Human))	BDBM50503238 (CHEMBL4465095) Show SMILES Nc1nc2[nH]c(CCCCc3csc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c3F)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H22FN5O6S/c21-14-9(8-33-15(14)18(30)24-12(19(31)32)5-6-13(27)28)3-1-2-4-10-7-11-16(23-10)25-20(22)26-17(11)29/h7-8,12H,1-6H2,(H,24,30)(H,27,28)(H,31,32)(H4,22,23,25,26,29)/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as reduction in [3H]MTX uptake at pH 5.5 measured over 2 mins by Dixon ...				J Med Chem 61: 4228-4248 (2018) Article DOI: 10.1021/acs.jmedchem.8b00408 BindingDB Entry DOI: 10.7270/Q2M048QF
					More data for this Ligand-Target Pair
Proton-coupled folate transporter (Homo sapiens (Human))	BDBM50503238 (CHEMBL4465095) Show SMILES Nc1nc2[nH]c(CCCCc3csc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c3F)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H22FN5O6S/c21-14-9(8-33-15(14)18(30)24-12(19(31)32)5-6-13(27)28)3-1-2-4-10-7-11-16(23-10)25-20(22)26-17(11)29/h7-8,12H,1-6H2,(H,24,30)(H,27,28)(H,31,32)(H4,22,23,25,26,29)/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Duquesne University Curated by ChEMBL					Assay Description Binding affinity to human PCFT4 expressed in human HeLa R1-11 cells assessed as antiproliferative activity measured as reduction in cell growth after...				J Med Chem 61: 4228-4248 (2018) Article DOI: 10.1021/acs.jmedchem.8b00408 BindingDB Entry DOI: 10.7270/Q2M048QF
					More data for this Ligand-Target Pair
Proton-coupled folate transporter (Homo sapiens (Human))	BDBM50503238 (CHEMBL4465095) Show SMILES Nc1nc2[nH]c(CCCCc3csc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c3F)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H22FN5O6S/c21-14-9(8-33-15(14)18(30)24-12(19(31)32)5-6-13(27)28)3-1-2-4-10-7-11-16(23-10)25-20(22)26-17(11)29/h7-8,12H,1-6H2,(H,24,30)(H,27,28)(H,31,32)(H4,22,23,25,26,29)/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Duquesne University Curated by ChEMBL					Assay Description Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as antiproliferative activity measured as reduction in cell growt...				J Med Chem 61: 4228-4248 (2018) Article DOI: 10.1021/acs.jmedchem.8b00408 BindingDB Entry DOI: 10.7270/Q2M048QF
					More data for this Ligand-Target Pair