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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50010230'   
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)		BDBM50010230
PNG
(CHEMBL3245586)
Show SMILES COC(=O)C[C@H](NC(=O)Nc1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)C(=O)OC |r|
Show InChI InChI=1S/C21H25N9O5/c1-30(10-12-9-24-18-16(25-12)17(22)28-20(23)29-18)13-6-4-11(5-7-13)26-21(33)27-14(19(32)35-3)8-15(31)34-2/h4-7,9,14H,8,10H2,1-3H3,(H2,26,27,33)(H4,22,23,24,28,29)/t14-/m0/s1
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PC cid
PC sid
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Similars
PubMed
n/an/a 600n/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