Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 262.3 BDBM50487413

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

Found 2 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
Bifunctional dihydrofolate reductase-thymidylate synthase (Cryptosporidium hominis)	BDBM50487413 (CHEMBL2261697) Show SMILES CC(=O)C1=C(C)NC(=S)NC1c1cccc(O)c1 |c:3| Show InChI InChI=1S/C13H14N2O2S/c1-7-11(8(2)16)12(15-13(18)14-7)9-4-3-5-10(17)6-9/h3-6,12,17H,1-2H3,(H2,14,15,18)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Cryptosporidium parvum recombinant DHFR using dihydrofolate as substrate incubated for 5 min prior to substrate addition by spectrophot...				Citation and Details Article DOI: 10.1007/s00044-008-9097-0 BindingDB Entry DOI: 10.7270/Q2TM7F09
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50487413 (CHEMBL2261697) Show SMILES CC(=O)C1=C(C)NC(=S)NC1c1cccc(O)c1 |c:3| Show InChI InChI=1S/C13H14N2O2S/c1-7-11(8(2)16)12(15-13(18)14-7)9-4-3-5-10(17)6-9/h3-6,12,17H,1-2H3,(H2,14,15,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Homo sapiens (human) dihydrofolate reductase using dihydrofolate as substrate incubated for 5 min prior to substrate addition by spectr...				Citation and Details Article DOI: 10.1007/s00044-008-9097-0 BindingDB Entry DOI: 10.7270/Q2TM7F09
					More data for this Ligand-Target Pair