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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50003057'   
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


(Homo sapiens (Human))		BDBM50003057
PNG
(7-Amino-1,2,3-trimethyl-2,8-dihydro-2,5,6,8-tetraa...)
Show SMILES Cc1n(C)c(C)c2c1cnc1nc(N)[nH]c(=O)c21
Show InChI InChI=1S/C12H13N5O/c1-5-7-4-14-10-9(8(7)6(2)17(5)3)11(18)16-12(13)15-10/h4H,1-3H3,(H3,13,15,16,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem
PubMed
n/an/a>9.50E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of recombinant human Dihydrofolate reductase (DHFR); no inhibition

J Med Chem 35: 3678-85 (1992)


BindingDB Entry DOI: 10.7270/Q2RJ4HFH
More data for this
Ligand-Target Pair