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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50024474'   
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)		BDBM50024474
PNG
(2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazo...)
Show SMILES CN(CC1CCc2nc(N)[nH]c(=O)c2C1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H27N5O6/c1-27(11-12-2-7-16-15(10-12)20(31)26-22(23)25-16)14-5-3-13(4-6-14)19(30)24-17(21(32)33)8-9-18(28)29/h3-6,12,17H,2,7-11H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H3,23,25,26,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.60E+4n/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