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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Folylpolyglutamate synthase, mitochondrial' and Ligand = 'BDBM50010931'   
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
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50010931
PNG
(2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoyl...)
Show SMILES Nc1nc(N)c2nc(CCc3ccc(cc3)C(=O)NC(C(O)CC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C20H21N7O6/c21-16-15-17(27-20(22)26-16)23-8-11(24-15)6-3-9-1-4-10(5-2-9)18(31)25-14(19(32)33)12(28)7-13(29)30/h1-2,4-5,8,12,14,28H,3,6-7H2,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)
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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of South Alabama

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Folyl-polyglutamate synthase in CCRF-CEM Human leukemia cell.

J Med Chem 34: 222-7 (1991)


BindingDB Entry DOI: 10.7270/Q2XD10N1
More data for this
Ligand-Target Pair