BDBM50072399 CHEMBL3407519

SMILES: Nc1nc2[nH]cc(CCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1

InChI Key: InChIKey=CTSPVOIVQCLQLX-JTQLQIEISA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50072399   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Folate transporter 1 (Homo sapiens (Human))	BDBM50072399 (CHEMBL3407519) Show SMILES Nc1nc2[nH]cc(CCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r| Show InChI InChI=1S/C18H19N5O6S/c19-18-22-14-13(16(27)23-18)8(7-20-14)1-2-9-3-5-11(30-9)15(26)21-10(17(28)29)4-6-12(24)25/h3,5,7,10H,1-2,4,6H2,(H,21,26)(H,24,25)(H,28,29)(H4,19,20,22,23,27)/t10-/m0/s1	Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	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 cell growth inhibition after 96 hrs by CellTiter-Blue assay				J Med Chem 58: 1479-93 (2015) Article DOI: 10.1021/jm501787c BindingDB Entry DOI: 10.7270/Q26W9CSQ
					More data for this Ligand-Target Pair
Proton-coupled folate transporter (Homo sapiens (Human))	BDBM50072399 (CHEMBL3407519) Show SMILES Nc1nc2[nH]cc(CCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r| Show InChI InChI=1S/C18H19N5O6S/c19-18-22-14-13(16(27)23-18)8(7-20-14)1-2-9-3-5-11(30-9)15(26)21-10(17(28)29)4-6-12(24)25/h3,5,7,10H,1-2,4,6H2,(H,21,26)(H,24,25)(H,28,29)(H4,19,20,22,23,27)/t10-/m0/s1	Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	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 cell growth inhibition after 96 hrs by CellTiter-Blue assay				J Med Chem 58: 1479-93 (2015) Article DOI: 10.1021/jm501787c BindingDB Entry DOI: 10.7270/Q26W9CSQ
					More data for this Ligand-Target Pair
Folate receptor alpha (Homo sapiens (Human))	BDBM50072399 (CHEMBL3407519) Show SMILES Nc1nc2[nH]cc(CCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r| Show InChI InChI=1S/C18H19N5O6S/c19-18-22-14-13(16(27)23-18)8(7-20-14)1-2-9-3-5-11(30-9)15(26)21-10(17(28)29)4-6-12(24)25/h3,5,7,10H,1-2,4,6H2,(H,21,26)(H,24,25)(H,28,29)(H4,19,20,22,23,27)/t10-/m0/s1	PDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	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 cell growth inhibition after 96 hrs by CellTiter-Blue assay				J Med Chem 58: 1479-93 (2015) Article DOI: 10.1021/jm501787c BindingDB Entry DOI: 10.7270/Q26W9CSQ
					More data for this Ligand-Target Pair