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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50024472'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Dihydrofolate reductase


(Lactobacillus casei)		BDBM50024472
PNG
(4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazolin...)
Show SMILES Nc1nc2CCC(CNc3ccc(cc3)C(O)=O)Cc2c(=O)[nH]1
Show InChI InChI=1S/C16H18N4O3/c17-16-19-13-6-1-9(7-12(13)14(21)20-16)8-18-11-4-2-10(3-5-11)15(22)23/h2-5,9,18H,1,6-8H2,(H,22,23)(H3,17,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of dihydrofolate reductase in L. casei

J Med Chem 30: 1256-61 (1987)


BindingDB Entry DOI: 10.7270/Q2R49PRC
More data for this
Ligand-Target Pair