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SMILES: Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccc(Cl)c(Cl)c3)C(O)=O)cnc2n1

InChI Key: InChIKey=WLWWMAXVPLTADE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50023717   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Dihydrofolate reductase


(Mus musculus (Mouse))		BDBM50023717
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-ben...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccc(Cl)c(Cl)c3)C(O)=O)cnc2n1
Show InChI InChI=1S/C26H25Cl2N9O4/c27-17-8-5-14(10-18(17)28)23(38)31-9-1-2-19(25(40)41)35-24(39)13-3-6-15(7-4-13)32-11-16-12-33-22-20(34-16)21(29)36-26(30)37-22/h3-8,10,12,19,32H,1-2,9,11H2,(H,31,38)(H,35,39)(H,40,41)(H4,29,30,33,36,37)
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PubMed
n/an/a 45n/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