Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 476.4 BDBM50529282

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

Found 3 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
Folate receptor alpha (Homo sapiens (Human))	BDBM50529282 (CHEMBL4515056) Show SMILES CN(Cc1cc2c(nc(N)[nH]c2=O)[nH]1)C(=O)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H20N6O7S/c1-25(7-8-6-9-14(21-8)23-19(20)24-15(9)28)17(30)12-4-3-11(33-12)16(29)22-10(18(31)32)2-5-13(26)27/h3-4,6,10H,2,5,7H2,1H3,(H,22,29)(H,26,27)(H,31,32)(H4,20,21,23,24,28)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Binding affinity to human FRalpha expressed in Chinese hamster RT16 cells assessed as antiproliferative activity measured as reduction in cell growth...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115125 BindingDB Entry DOI: 10.7270/Q23B63MK
					More data for this Ligand-Target Pair
Proton-coupled folate transporter (Homo sapiens (Human))	BDBM50529282 (CHEMBL4515056) Show SMILES CN(Cc1cc2c(nc(N)[nH]c2=O)[nH]1)C(=O)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H20N6O7S/c1-25(7-8-6-9-14(21-8)23-19(20)24-15(9)28)17(30)12-4-3-11(33-12)16(29)22-10(18(31)32)2-5-13(26)27/h3-4,6,10H,2,5,7H2,1H3,(H,22,29)(H,26,27)(H,31,32)(H4,20,21,23,24,28)/t10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	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...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115125 BindingDB Entry DOI: 10.7270/Q23B63MK
					More data for this Ligand-Target Pair
Reduced folate transporter (Homo sapiens (Human))	BDBM50529282 (CHEMBL4515056) Show SMILES CN(Cc1cc2c(nc(N)[nH]c2=O)[nH]1)C(=O)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H20N6O7S/c1-25(7-8-6-9-14(21-8)23-19(20)24-15(9)28)17(30)12-4-3-11(33-12)16(29)22-10(18(31)32)2-5-13(26)27/h3-4,6,10H,2,5,7H2,1H3,(H,22,29)(H,26,27)(H,31,32)(H4,20,21,23,24,28)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as antiproliferative activity measured as reduction in cell growth ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115125 BindingDB Entry DOI: 10.7270/Q23B63MK
					More data for this Ligand-Target Pair