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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50010232   
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)		BDBM50010232
PNG
(CHEMBL3245587)
Show SMILES COC(=O)CC[C@H](NC(=O)Nc1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)C(=O)OC |r|
Show InChI InChI=1S/C22H27N9O5/c1-31(11-13-10-25-19-17(26-13)18(23)29-21(24)30-19)14-6-4-12(5-7-14)27-22(34)28-15(20(33)36-3)8-9-16(32)35-2/h4-7,10,15H,8-9,11H2,1-3H3,(H2,27,28,34)(H4,23,24,25,29,30)/t15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 300n/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