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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50010234'   
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)		BDBM50010234
PNG
(CHEMBL3245589)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(NC(=O)NC(CCC(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C20H23N9O5/c1-29(9-11-8-23-17-15(24-11)16(21)27-19(22)28-17)12-4-2-10(3-5-12)25-20(34)26-13(18(32)33)6-7-14(30)31/h2-5,8,13H,6-7,9H2,1H3,(H,30,31)(H,32,33)(H2,25,26,34)(H4,21,22,23,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Lactobacillus casei ATCC 7469 dihydrofolate reductase

J Med Chem 22: 869-74 (1979)


BindingDB Entry DOI: 10.7270/Q22B90KQ
More data for this
Ligand-Target Pair