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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50226277'   
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)		BDBM50226277
PNG
(CHEMBL273509)
Show SMILES CN(Cc1cnc2nc(N)nc(O)c2c1C)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H24N6O6/c1-11-13(9-24-18-17(11)20(32)27-22(23)26-18)10-28(2)14-5-3-12(4-6-14)19(31)25-15(21(33)34)7-8-16(29)30/h3-6,9,15H,7-8,10H2,1-2H3,(H,25,31)(H,29,30)(H,33,34)(H3,23,24,26,27,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 5.98n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory effect on the dihydrofolate reductase (DHFR) of Lactobacillus casei

J Med Chem 29: 1080-7 (1986)


BindingDB Entry DOI: 10.7270/Q2416XMQ
More data for this
Ligand-Target Pair