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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50023712'   
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


(Mus musculus (Mouse))		BDBM50023712
PNG
(5-Benzoylamino-2-{4-[(2,4-diamino-pteridin-6-ylmet...)
Show SMILES Nc1nc(N)c2nc(CN(C=O)c3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccccc3)C(O)=O)cnc2n1
Show InChI InChI=1S/C27H27N9O5/c28-22-21-23(35-27(29)34-22)31-13-18(32-21)14-36(15-37)19-10-8-17(9-11-19)25(39)33-20(26(40)41)7-4-12-30-24(38)16-5-2-1-3-6-16/h1-3,5-6,8-11,13,15,20H,4,7,12,14H2,(H,30,38)(H,33,39)(H,40,41)(H4,28,29,31,34,35)
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Similars
PubMed
n/an/a 34n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells

J Med Chem 31: 1332-7 (1988)


BindingDB Entry DOI: 10.7270/Q2697454
More data for this
Ligand-Target Pair